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

C14H15N3O3 — CID 4791027

IUPACN-(4-acetamidophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C14H15N3O3/c1-8-13(9(2)20-17-8)14(19)16-12-6-4-11(5-7-12)15-10(3)18/h4-7H,1-3H3,(H,15,18)(H,16,19)
InChIKeyAHRPSIZOKGGCCU-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.50
Rot. Bonds3

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

N-(4-acetamidophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 4791027) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID4791027
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(4-acetamidophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C14H15N3O3/c1-8-13(9(2)20-17-8)14(19)16-12-6-4-11(5-7-12)15-10(3)18/h4-7H,1-3H3,(H,15,18)(H,16,19)
InChIKeyAHRPSIZOKGGCCU-UHFFFAOYSA-N
XLogP2.50
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide
CID 25265089
N-(4-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 6622808
5-amino-N-(2-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 1263600
Mls003170801
CID 332790
N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 975481
N-(2-fluorobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247514
N-(4-cyanophenyl)-3,5-dimethylisoxazole-4-carboxamide
CID 2741509
3,7-Dimethyl-5-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 2745397
N-[4-(diethylamino)phenyl]-3,5-dimethyl-4-isoxazolecarboxamide
CID 4791029
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
N-(4-cyanophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 8145913
N-[4-(diethylcarbamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9502259

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 4791027) is N-(4-acetamidophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2c(C)noc2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is AHRPSIZOKGGCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8-13(9(2)20-17-8)14(19)16-12-6-4-11(5-7-12)15-10(3)18/h4-7H,1-3H3,(H,15,18)(H,16,19).
What are the key properties of N-(4-acetamidophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(4-acetamidophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4791027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).