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

C13H13ClN2O2S — CID 2987214

IUPAC3-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCSc2ccc(Cl)cc2)no1
InChIInChI=1S/C13H13ClN2O2S/c1-9-8-12(16-18-9)15-13(17)6-7-19-11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,15,16,17)
InChIKeyADGHJFLGSYQVSP-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.76
Rot. Bonds5

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

3-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 2987214) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID2987214
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCSc2ccc(Cl)cc2)no1
InChIInChI=1S/C13H13ClN2O2S/c1-9-8-12(16-18-9)15-13(17)6-7-19-11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,15,16,17)
InChIKeyADGHJFLGSYQVSP-UHFFFAOYSA-N
XLogP3.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.76
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-chlorophenyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 676219
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 2987214) is 3-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCSc2ccc(Cl)cc2)no1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is ADGHJFLGSYQVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-9-8-12(16-18-9)15-13(17)6-7-19-11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,15,16,17).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 296.78 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 2987214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).