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

C14H14N2O3 — CID 110861160

IUPACN-(4-acetylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2noc(C)c2C)cc1
InChIInChI=1S/C14H14N2O3/c1-8-10(3)19-16-13(8)14(18)15-12-6-4-11(5-7-12)9(2)17/h4-7H,1-3H3,(H,15,18)
InChIKeyIWSWDDPWPUBBIA-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.75
Rot. Bonds3

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

N-(4-acetylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 110861160) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID110861160
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-(4-acetylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2noc(C)c2C)cc1
InChIInChI=1S/C14H14N2O3/c1-8-10(3)19-16-13(8)14(18)15-12-6-4-11(5-7-12)9(2)17/h4-7H,1-3H3,(H,15,18)
InChIKeyIWSWDDPWPUBBIA-UHFFFAOYSA-N
XLogP2.75
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19589954
N-(4-acetylphenyl)-4-[(4-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445305
N-(4-acetylphenyl)-4-[(3,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445000
N-(4-acetylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488246
N-(4-acetylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1118276
N-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110864656
N-(4-acetylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805851
N-(4-acetylphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392920
N-(4-acetylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
CID 110677461
N-(2,4-difluorophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 17026519
N-(4-acetylphenyl)pyrimidine-5-carboxamide
CID 110466848
N-(4-acetylphenyl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 8712853

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide (CID 110861160) is N-(4-acetylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide is CC(=O)c1ccc(NC(=O)c2noc(C)c2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is IWSWDDPWPUBBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-8-10(3)19-16-13(8)14(18)15-12-6-4-11(5-7-12)9(2)17/h4-7H,1-3H3,(H,15,18).
What are the key properties of N-(4-acetylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide?
N-(4-acetylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110861160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).