N-(3-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-amine
TL;DR: N-(3-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-amine (CAS 522659-33-2) is a chemical compound with molecular formula C11H13ClN2O and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine
Also Known As: ChemDiv3_004935, IDI1_022845, N-(3-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-amine, BRD-K94354025-001-01-2, (4,4-dimethyl(1,3-oxazolin-2-yl))(3-chlorophenyl)amine
| Molecular Formula | C11H13ClN2O |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 33.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.07164 |
| Heavy Atoms | 15 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 522659-33-2 |
|---|---|
| SMILES | CC1(COC(=N1)NC2=CC(=CC=C2)Cl)C |
| InChIKey | QWHURSPYWKSHSI-UHFFFAOYSA-N |
Product Overview
N-(3-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-amine (CAS 522659-33-2), with molecular formula C11H13ClN2O and molecular weight 224.07 g/mol. IUPAC: N-(3-chlorophenyl)-4,4-dimethyl-5H-1,3-oxazol-2-amine.
Chemical Property Profile of N-(3-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-amine
Property Insights of N-(3-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-amine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-amine. With a topological polar surface area (TPSA) of 33.6 Ų, N-(3-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-amine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-amine?
The CAS number of N-(3-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-amine is 522659-33-2.
What is the molecular formula of N-(3-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-amine?
The molecular formula of N-(3-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-amine is C11H13ClN2O.
What is the molecular weight of N-(3-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-amine?
The molecular weight of N-(3-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-amine is 224.07 g/mol.
Where can I buy N-(3-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-amine?
You can request a quote for N-(3-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.