N-(4-chloro-2-methylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide

C17H13ClN2O2 — CID 100771834

IUPACN-(4-chloro-2-methylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1conc1-c1ccccc1
InChIInChI=1S/C17H13ClN2O2/c1-11-9-13(18)7-8-15(11)19-17(21)14-10-22-20-16(14)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,21)
InChIKeyMEWVPHXTBUHTEF-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.56
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide

N-(4-chloro-2-methylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 100771834) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID100771834
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC NameN-(4-chloro-2-methylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1conc1-c1ccccc1
InChIInChI=1S/C17H13ClN2O2/c1-11-9-13(18)7-8-15(11)19-17(21)14-10-22-20-16(14)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,21)
InChIKeyMEWVPHXTBUHTEF-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

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771839
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
N-(4-chloro-2-methylphenyl)-4-phenylbenzamide
CID 19174130
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771568
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
N-(4-chloro-2-methylphenyl)-3-phenylcinnoline-4-carboxamide
CID 46288080
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
N-(3-methoxyphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771875
N-(2,4-dimethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857168
2-amino-3-chloro-N-(4-chloro-2-methylphenyl)benzamide
CID 82546494
N-(5-chloro-2-methylphenyl)-2-phenylbenzamide
CID 976295
N-(4-chloro-2-methylphenyl)-2-(propylamino)benzamide
CID 63107746

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide (CID 100771834) is N-(4-chloro-2-methylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1conc1-c1ccccc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is MEWVPHXTBUHTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-11-9-13(18)7-8-15(11)19-17(21)14-10-22-20-16(14)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,21).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide?
N-(4-chloro-2-methylphenyl)-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-(4-chloro-2-methylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 100771834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).