3-(2-chlorophenyl)-5-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide

C19H15ClN6O2 — CID 50777095

IUPAC3-(2-chlorophenyl)-5-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1-n1cnnn1
InChIInChI=1S/C19H15ClN6O2/c1-11-7-8-13(9-16(11)26-10-21-24-25-26)22-19(27)17-12(2)28-23-18(17)14-5-3-4-6-15(14)20/h3-10H,1-2H3,(H,22,27)
InChIKeyCFASVGCLHIBCIY-UHFFFAOYSA-N
MW394.82 g/mol
LogP3.84
Rot. Bonds4

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

3-(2-chlorophenyl)-5-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 50777095) has the molecular formula C19H15ClN6O2 and a molecular weight of 394.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID50777095
Molecular FormulaC19H15ClN6O2
Molecular Weight394.82 g/mol
Exact Mass394.09
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1-n1cnnn1
InChIInChI=1S/C19H15ClN6O2/c1-11-7-8-13(9-16(11)26-10-21-24-25-26)22-19(27)17-12(2)28-23-18(17)14-5-3-4-6-15(14)20/h3-10H,1-2H3,(H,22,27)
InChIKeyCFASVGCLHIBCIY-UHFFFAOYSA-N
XLogP3.84
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2-chlorophenyl)-5-methyl-N-[4-methyl-3-(tetrazol-1-yl)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-carbamoyl-4-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 166186406
3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoic acid
CID 1042639
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 9450875
3-(2-chlorophenyl)-5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-4-carboxamide
CID 17488472
3-(2-chlorophenyl)-5-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-1,2-oxazole-4-carboxamide
CID 18571314
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78883751
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
3-(2-chlorophenyl)-N-[4-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3-methylphenyl]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4521302
3-(2-chlorophenyl)-N-[3-(diethylaminomethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 78862760
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2996672
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2,2-diphenylacetamide
CID 39226018

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide (CID 50777095) is 3-(2-chlorophenyl)-5-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1-n1cnnn1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is CFASVGCLHIBCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O2/c1-11-7-8-13(9-16(11)26-10-21-24-25-26)22-19(27)17-12(2)28-23-18(17)14-5-3-4-6-15(14)20/h3-10H,1-2H3,(H,22,27).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 394.82 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 50777095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).