1-Methyl-4-(2-oxazolidinylideneamino)indole
TL;DR: 1-Methyl-4-(2-oxazolidinylideneamino)indole (CAS 87179-45-1) is a chemical compound with molecular formula C12H13N3O and molecular weight 215.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-methylindol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine
Also Known As: 1-Methyl-4-(2-oxazolidinylideneamino)indole, Indole, 1-methyl-4-(2-oxazolidinylideneamino)-, 1-Methyl-4-(oxazolidin-2-ylideneamino)-1H-indole, 1H-Indol-4-amine, N-(4,5-dihydro-2-oxazolyl)-1-methyl-, N-(1-Methyl-1H-indol-4-yl)-4,5-dihydrooxazol-2-amine
| Molecular Formula | C12H13N3O |
|---|---|
| Molecular Weight | 215.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 38.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.10587 |
| Heavy Atoms | 16 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 87179-45-1 |
|---|---|
| SMILES | CN1C=CC2=C(C=CC=C21)NC3=NCCO3 |
| InChIKey | QLMOXFSSGIBYOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-4-(2-oxazolidinylideneamino)indole (CAS 87179-45-1), with molecular formula C12H13N3O and molecular weight 215.11 g/mol. IUPAC: N-(1-methylindol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine.
Chemical Property Profile of 1-Methyl-4-(2-oxazolidinylideneamino)indole
Property Insights of 1-Methyl-4-(2-oxazolidinylideneamino)indole
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-(2-oxazolidinylideneamino)indole. With a topological polar surface area (TPSA) of 38.6 Ų, 1-Methyl-4-(2-oxazolidinylideneamino)indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-(2-oxazolidinylideneamino)indole 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 1-Methyl-4-(2-oxazolidinylideneamino)indole?
The CAS number of 1-Methyl-4-(2-oxazolidinylideneamino)indole is 87179-45-1.
What is the molecular formula of 1-Methyl-4-(2-oxazolidinylideneamino)indole?
The molecular formula of 1-Methyl-4-(2-oxazolidinylideneamino)indole is C12H13N3O.
What is the molecular weight of 1-Methyl-4-(2-oxazolidinylideneamino)indole?
The molecular weight of 1-Methyl-4-(2-oxazolidinylideneamino)indole is 215.11 g/mol.
Where can I buy 1-Methyl-4-(2-oxazolidinylideneamino)indole?
You can request a quote for 1-Methyl-4-(2-oxazolidinylideneamino)indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-(2-oxazolidinylideneamino)indole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-(2-oxazolidinylideneamino)indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.