N-(4-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide

C15H16N2O3S — CID 9423173

IUPACN-(4-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc(C)c(C)o2)cc1
InChIInChI=1S/C15H16N2O3S/c1-9-11(3)20-15(16-9)21-8-14(19)17-13-6-4-12(5-7-13)10(2)18/h4-7H,8H2,1-3H3,(H,17,19)
InChIKeyOYWYWZUNVSIARC-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.22
Rot. Bonds5

About N-(4-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide

N-(4-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide (PubChem CID 9423173) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
PubChem CID9423173
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-(4-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CSc2nc(C)c(C)o2)cc1
InChIInChI=1S/C15H16N2O3S/c1-9-11(3)20-15(16-9)21-8-14(19)17-13-6-4-12(5-7-13)10(2)18/h4-7H,8H2,1-3H3,(H,17,19)
InChIKeyOYWYWZUNVSIARC-UHFFFAOYSA-N
XLogP3.22
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide (CID 9423173) is N-(4-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide is CC(=O)c1ccc(NC(=O)CSc2nc(C)c(C)o2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The InChIKey is OYWYWZUNVSIARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9-11(3)20-15(16-9)21-8-14(19)17-13-6-4-12(5-7-13)10(2)18/h4-7H,8H2,1-3H3,(H,17,19).
What are the key properties of N-(4-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
N-(4-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide has a molecular weight of 304.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 9423173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).