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

C16H12ClN3O2 — CID 53001782

IUPACN-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2cccnc2)c1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H12ClN3O2/c1-10-14(15(20-22-10)11-4-3-7-18-9-11)16(21)19-13-6-2-5-12(17)8-13/h2-9H,1H3,(H,19,21)
InChIKeyZSIDGELZNONRHB-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.95
Rot. Bonds3

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

N-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide (PubChem CID 53001782) has the molecular formula C16H12ClN3O2 and a molecular weight of 313.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
PubChem CID53001782
Molecular FormulaC16H12ClN3O2
Molecular Weight313.74 g/mol
Exact Mass313.06
IUPAC NameN-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2cccnc2)c1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H12ClN3O2/c1-10-14(15(20-22-10)11-4-3-7-18-9-11)16(21)19-13-6-2-5-12(17)8-13/h2-9H,1H3,(H,19,21)
InChIKeyZSIDGELZNONRHB-UHFFFAOYSA-N
XLogP3.95
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-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-phenyl-1,2-oxazole-4-carboxamide
CID 873609
N-(2-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001781
N-(3-chlorophenyl)-3-(furan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682474
N-ethyl-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53015749
3-(3-chlorophenyl)-5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 50805635
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
N-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 32850824
3-(3-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805699
3,5-dimethyl-N-[(3-pyridin-3-ylphenyl)carbamothioyl]-1,2-oxazole-4-carboxamide
CID 89214030
N-[(2-chloro-1,3-oxazol-4-yl)methyl]-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 166371286
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 55787366

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide (CID 53001782) is N-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide is Cc1onc(-c2cccnc2)c1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The InChIKey is ZSIDGELZNONRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O2/c1-10-14(15(20-22-10)11-4-3-7-18-9-11)16(21)19-13-6-2-5-12(17)8-13/h2-9H,1H3,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
N-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide has a molecular weight of 313.74 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 53001782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).