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

C17H13ClN2O2 — CID 873609

IUPACN-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H13ClN2O2/c1-11-15(16(20-22-11)12-6-3-2-4-7-12)17(21)19-14-9-5-8-13(18)10-14/h2-10H,1H3,(H,19,21)
InChIKeyYKXURFMCKHIUPC-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.56
Rot. Bonds3

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

N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 873609) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID873609
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC NameN-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H13ClN2O2/c1-11-15(16(20-22-11)12-6-3-2-4-7-12)17(21)19-14-9-5-8-13(18)10-14/h2-10H,1H3,(H,19,21)
InChIKeyYKXURFMCKHIUPC-UHFFFAOYSA-N
XLogP4.56
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chlorophenyl)-5-methyl-3-phenyl-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

Related Compounds

N-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001782
N-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 32850824
N-(3-chlorophenyl)-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682474
3-(3-chlorophenyl)-5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 50805635
N-[3-(diethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 26070791
N-(3-iodo-4-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2649068
3-(3-chlorophenyl)-N-(2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805541
N-(2-bromophenyl)-3-(3-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805843
5-methyl-N-[3-(1-methylimidazol-2-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 60557129
N-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2366225
5-methyl-N-(3-methyl-4-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 155518641
N-[(3-chlorophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1219053

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 873609) is N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is YKXURFMCKHIUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-11-15(16(20-22-11)12-6-3-2-4-7-12)17(21)19-14-9-5-8-13(18)10-14/h2-10H,1H3,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 873609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).