N-(4-benzoylphenyl)-5-methyl-1,2-oxazole-4-carboxamide

C18H14N2O3 — CID 850845

IUPACN-(4-benzoylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H14N2O3/c1-12-16(11-19-23-12)18(22)20-15-9-7-14(8-10-15)17(21)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,22)
InChIKeyVRRKESFVUKKBDG-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.47
Rot. Bonds4

About N-(4-benzoylphenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-(4-benzoylphenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 850845) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-(4-benzoylphenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-benzoylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID850845
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC NameN-(4-benzoylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H14N2O3/c1-12-16(11-19-23-12)18(22)20-15-9-7-14(8-10-15)17(21)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,22)
InChIKeyVRRKESFVUKKBDG-UHFFFAOYSA-N
XLogP3.47
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Leflunomide
CID 3899
5-methyl-N-(1-naphthyl)-4-isoxazolecarboxamide
CID 850302
N-[4-(diethylcarbamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9502259
5-methyl-N-[2-methyl-5-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide
CID 122189918
5-methyl-N-[2-methyl-5-[[4-morpholin-4-yl-3-(trifluoromethyl)benzoyl]amino]phenyl]-1,2-oxazole-4-carboxamide
CID 122189919
5-methyl-N-(2-naphthyl)-4-isoxazolecarboxamide
CID 850303
T6893643
CID 850846
N-[5-[(3,5-dimethylbenzoyl)amino]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122189928
5-Methyl-N-[2-(trifluoromethyl)phenyl]isoxazole-4-carboxamide
CID 21912858
5-Methyl-N-(3-(trifluoromethyl)phenyl)isoxazole-4-carboxamide
CID 7314718
5-methyl-3-phenyl-N-[4-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide
CID 2970746
3,5-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 2472081

Frequently Asked Questions

What is the IUPAC name of N-(4-benzoylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-benzoylphenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 850845) is N-(4-benzoylphenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-benzoylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-benzoylphenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-benzoylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is VRRKESFVUKKBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-12-16(11-19-23-12)18(22)20-15-9-7-14(8-10-15)17(21)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,22).
What are the key properties of N-(4-benzoylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(4-benzoylphenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzoylphenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 850845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).