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

C13H12N2O3 — CID 5309251

IUPACN-(3-acetylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(C)no2)c1
InChIInChI=1S/C13H12N2O3/c1-8-6-12(18-15-8)13(17)14-11-5-3-4-10(7-11)9(2)16/h3-7H,1-2H3,(H,14,17)
InChIKeyODLDFDVPUSZMTN-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.44
Rot. Bonds3

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

N-(3-acetylphenyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 5309251) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID5309251
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC NameN-(3-acetylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(C)no2)c1
InChIInChI=1S/C13H12N2O3/c1-8-6-12(18-15-8)13(17)14-11-5-3-4-10(7-11)9(2)16/h3-7H,1-2H3,(H,14,17)
InChIKeyODLDFDVPUSZMTN-UHFFFAOYSA-N
XLogP2.44
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Isoxazolecarboxamide, 5-methyl-N-(2-(trifluoromethyl)phenyl)-
CID 3073007
T56-LIMKi
CID 9438169
N-(4-fluorophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 2769315
N-(4-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 6622808
N-(4-ethylphenyl)(5-propylisoxazol-3-yl)carboxamide
CID 17253304
3-Isoxazolecarboxamide, 5-methyl-N-(2-(phenylmethyl)phenyl)-
CID 1246614
2-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 1484369
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
N-(2-methylphenyl)-1,2-oxazole-5-carboxamide
CID 7996638
N-(4-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide
CID 17095608
5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide
CID 8880740
N-(3-acetylphenyl)-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 973882

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 5309251) is N-(3-acetylphenyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3-methyl-1,2-oxazole-5-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(C)no2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is ODLDFDVPUSZMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-8-6-12(18-15-8)13(17)14-11-5-3-4-10(7-11)9(2)16/h3-7H,1-2H3,(H,14,17).
What are the key properties of N-(3-acetylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(3-acetylphenyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 5309251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).