N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylacetamide

C12H12N2O2S — CID 700938

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccccc2)no1
InChIInChI=1S/C12H12N2O2S/c1-9-7-11(14-16-9)13-12(15)8-17-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,14,15)
InChIKeyVLUWXAXUFWOUPM-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.71
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylacetamide (PubChem CID 700938) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylacetamide
PubChem CID700938
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccccc2)no1
InChIInChI=1S/C12H12N2O2S/c1-9-7-11(14-16-9)13-12(15)8-17-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,14,15)
InChIKeyVLUWXAXUFWOUPM-UHFFFAOYSA-N
XLogP2.71
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-Methyl-3-isoxazolyl)-2-thiophenecarboxamide
CID 670281
N-(5-tert-butyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 1245228
2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2106167
N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 2498562
N-(5-Methyl-isoxazol-3-yl)-2-(toluene-4-sulfonyl)-acetamide
CID 2969761
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7254602
N-(5-methyl-3-isoxazolyl)-2-(2-thienyl)acetamide
CID 717599
Acetylsulfisomezole
CID 87725
Pentanedioic acid (5-methyl-isoxazol-3-yl)-amide (thiophen-2-ylmethyl)-amide
CID 652358
2-[(4-chlorophenyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 676219
2-methyl-N-(5-methyl-3-isoxazolyl)-3-phenylacrylamide
CID 890161
2-(ethylthio)-N-(5-methyl-3-isoxazolyl)benzamide
CID 970322

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylacetamide (CID 700938) is N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylacetamide is Cc1cc(NC(=O)CSc2ccccc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylacetamide?
The InChIKey is VLUWXAXUFWOUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-9-7-11(14-16-9)13-12(15)8-17-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,14,15).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylacetamide has a molecular weight of 248.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 700938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).