N,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C25H21ClN2O2 — CID 4651566

IUPACN,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H21ClN2O2/c1-18-23(24(27-30-18)21-14-8-9-15-22(21)26)25(29)28(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-15H,16-17H2,1H3
InChIKeyGJHIOHKZHBQCPE-UHFFFAOYSA-N
MW416.91 g/mol
LogP6.15
Rot. Bonds6

About N,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 4651566) has the molecular formula C25H21ClN2O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is N,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID4651566
Molecular FormulaC25H21ClN2O2
Molecular Weight416.91 g/mol
Exact Mass416.13
IUPAC NameN,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H21ClN2O2/c1-18-23(24(27-30-18)21-14-8-9-15-22(21)26)25(29)28(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-15H,16-17H2,1H3
InChIKeyGJHIOHKZHBQCPE-UHFFFAOYSA-N
XLogP6.15
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.91
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 4651566) is N,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is GJHIOHKZHBQCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O2/c1-18-23(24(27-30-18)21-14-8-9-15-22(21)26)25(29)28(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-15H,16-17H2,1H3.
What are the key properties of N,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 416.91 g/mol, XLogP of 6.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4651566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).