2-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C12H11ClN2O2S — CID 676219

IUPAC2-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2ccc(Cl)cc2)no1
InChIInChI=1S/C12H11ClN2O2S/c1-8-6-11(15-17-8)14-12(16)7-18-10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,14,15,16)
InChIKeyFKUIAHYXUCWPFZ-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.37
Rot. Bonds4

About 2-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 676219) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID676219
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2ccc(Cl)cc2)no1
InChIInChI=1S/C12H11ClN2O2S/c1-8-6-11(15-17-8)14-12(16)7-18-10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,14,15,16)
InChIKeyFKUIAHYXUCWPFZ-UHFFFAOYSA-N
XLogP3.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2106167
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7254602
N-(5-tert-butylisoxazol-3-yl)-2-(4-chlorophenylsulfonyl)-2-methylpropanamide
CID 24856117
2-(4-acetamidophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2084474
2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7162163
2-((4-chlorophenyl)sulfonyl)-N-(5-methylisoxazol-3-yl)acetamide
CID 7254252
2-(4-chlorophenylsulfonyl)-2-methyl-N-(5-methylisoxazol-3-yl)propanamide
CID 44569589
2-(benzylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 890849
3-(4-Chloro-benzenesulfonyl)-propionic acid (5-methyl-isoxazol-3-ylcarbamoyl)-methyl ester
CID 3164231
2-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24982274
N-(5-methyl-1,2-oxazol-3-yl)-2-(phenylsulfanyl)acetamide
CID 700938
N-(5-methyl-3-isoxazolyl)-3-(2-thienyl)acrylamide
CID 845123

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 676219) is 2-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2ccc(Cl)cc2)no1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is FKUIAHYXUCWPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-8-6-11(15-17-8)14-12(16)7-18-10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,14,15,16).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 282.75 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 676219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).