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

C17H13ClN2O3 — CID 110680893

IUPACN-(3-chlorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
SMILESCn1oc(=O)c(-c2ccccc2)c1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H13ClN2O3/c1-20-15(16(21)19-13-9-5-8-12(18)10-13)14(17(22)23-20)11-6-3-2-4-7-11/h2-10H,1H3,(H,19,21)
InChIKeyNQTWLLBBOISLBA-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.55
Rot. Bonds3

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

N-(3-chlorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 110680893) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
PubChem CID110680893
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC NameN-(3-chlorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
SMILESCn1oc(=O)c(-c2ccccc2)c1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H13ClN2O3/c1-20-15(16(21)19-13-9-5-8-12(18)10-13)14(17(22)23-20)11-6-3-2-4-7-11/h2-10H,1H3,(H,19,21)
InChIKeyNQTWLLBBOISLBA-UHFFFAOYSA-N
XLogP3.55
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
CID 110680910
N-(2,6-difluorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
CID 110680924
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
2-methyl-N-(3-methylphenyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
CID 110681208
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
N-(3-chlorophenyl)-2-methyl-1-oxido-6-phenylpyridin-1-ium-3-carboxamide
CID 134125127
N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 873609
5-[(3-chlorophenyl)carbamoyl]furan-3-carboxylic acid
CID 113432211
N-(3-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84550042
N-(3-chlorophenyl)-1-oxoisochromene-4-carboxamide
CID 23941378
N-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide
CID 26719726
N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694528

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide (CID 110680893) is N-(3-chlorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide is Cn1oc(=O)c(-c2ccccc2)c1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is NQTWLLBBOISLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-20-15(16(21)19-13-9-5-8-12(18)10-13)14(17(22)23-20)11-6-3-2-4-7-11/h2-10H,1H3,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide?
N-(3-chlorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-methyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110680893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).