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

C15H16N2O3S — CID 9422628

IUPACN-(3-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2nc(C)c(C)o2)c1
InChIInChI=1S/C15H16N2O3S/c1-9-11(3)20-15(16-9)21-8-14(19)17-13-6-4-5-12(7-13)10(2)18/h4-7H,8H2,1-3H3,(H,17,19)
InChIKeyTYTBQUPJBDYOKA-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.22
Rot. Bonds5

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

N-(3-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide (PubChem CID 9422628) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
PubChem CID9422628
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-(3-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2nc(C)c(C)o2)c1
InChIInChI=1S/C15H16N2O3S/c1-9-11(3)20-15(16-9)21-8-14(19)17-13-6-4-5-12(7-13)10(2)18/h4-7H,8H2,1-3H3,(H,17,19)
InChIKeyTYTBQUPJBDYOKA-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

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Related Compounds

N-(3-acetylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 3240995
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
CID 6472287
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 15944374
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9423614
N,2-dimethyl-3-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methylamino]benzamide
CID 132315356
N-(3-acetyl-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 144872140
N-[4-(acetylamino)phenyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9423857
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-naphthyl)acetamide
CID 9456762
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9422950
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9458380
2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 55518565
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide
CID 55664933

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide (CID 9422628) is N-(3-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide is CC(=O)c1cccc(NC(=O)CSc2nc(C)c(C)o2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The InChIKey is TYTBQUPJBDYOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9-11(3)20-15(16-9)21-8-14(19)17-13-6-4-5-12(7-13)10(2)18/h4-7H,8H2,1-3H3,(H,17,19).
What are the key properties of N-(3-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
N-(3-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-(3-acetylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 9422628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).