N-benzyl-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide

C18H16N2O3 — CID 110681169

IUPACN-benzyl-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCn1oc(=O)c(C(=O)NCc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H16N2O3/c1-20-16(14-10-6-3-7-11-14)15(18(22)23-20)17(21)19-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,19,21)
InChIKeyJASHDXYQGZLSGV-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.58
Rot. Bonds4

About N-benzyl-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide

N-benzyl-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 110681169) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-benzyl-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID110681169
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-benzyl-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCn1oc(=O)c(C(=O)NCc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H16N2O3/c1-20-16(14-10-6-3-7-11-14)15(18(22)23-20)17(21)19-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,19,21)
InChIKeyJASHDXYQGZLSGV-UHFFFAOYSA-N
XLogP2.58
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-methylpropyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
CID 110681149
N-(2-fluorophenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
CID 110681224
N-benzyl-2,4,5-triphenylfuran-3-carboxamide
CID 132516883
N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 130158705
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
2-(benzylcarbamoyl)-3,6-dihydroxybenzoic acid
CID 139355426
N-benzyl-2-methyl-1,5-diphenylpyrrole-3-carboxamide
CID 42665700
N-benzyl-2,3-dihydroxy-1-oxoisoquinoline-4-carboxamide
CID 137064384
N-benzyl-N,2-dimethyl-5-oxo-4-phenyl-1,2-oxazole-3-carboxamide
CID 110680851
N-benzyl-1,2-dimethyl-6-oxopyridine-4-carboxamide
CID 20668750
N-benzyl-2,4,5,6-tetrachloropyridine-3-carboxamide
CID 628678
N-benzyl-3-(methylsulfanylmethyl)-2-phenylquinoline-4-carboxamide;ethane
CID 143429008

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-benzyl-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide (CID 110681169) is N-benzyl-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide is Cn1oc(=O)c(C(=O)NCc2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-benzyl-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is JASHDXYQGZLSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-20-16(14-10-6-3-7-11-14)15(18(22)23-20)17(21)19-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,19,21).
What are the key properties of N-benzyl-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide?
N-benzyl-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110681169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).