N-(4-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide

C13H11ClN2O3 — CID 17095608

IUPACN-(4-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2onc(C)c2Cl)cc1
InChIInChI=1S/C13H11ClN2O3/c1-7-11(14)12(19-16-7)13(18)15-10-5-3-9(4-6-10)8(2)17/h3-6H,1-2H3,(H,15,18)
InChIKeyRHPXZRQSHQBFEE-UHFFFAOYSA-N
MW278.70 g/mol
LogP3.09
Rot. Bonds3

About N-(4-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide

N-(4-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 17095608) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID17095608
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC NameN-(4-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2onc(C)c2Cl)cc1
InChIInChI=1S/C13H11ClN2O3/c1-7-11(14)12(19-16-7)13(18)15-10-5-3-9(4-6-10)8(2)17/h3-6H,1-2H3,(H,15,18)
InChIKeyRHPXZRQSHQBFEE-UHFFFAOYSA-N
XLogP3.09
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide (CID 17095608) is N-(4-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide is CC(=O)c1ccc(NC(=O)c2onc(C)c2Cl)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is RHPXZRQSHQBFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-7-11(14)12(19-16-7)13(18)15-10-5-3-9(4-6-10)8(2)17/h3-6H,1-2H3,(H,15,18).
What are the key properties of N-(4-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide?
N-(4-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 278.70 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17095608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).