N-(5-chloro-2-phenylsulfanylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C19H17ClN2O2S — CID 9117395

IUPACN-(5-chloro-2-phenylsulfanylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)Nc1cc(Cl)ccc1Sc1ccccc1
InChIInChI=1S/C19H17ClN2O2S/c1-12-16(13(2)24-22-12)11-19(23)21-17-10-14(20)8-9-18(17)25-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyNJCCWYFIJQCKIV-UHFFFAOYSA-N
MW372.88 g/mol
LogP5.28
Rot. Bonds5

About N-(5-chloro-2-phenylsulfanylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-(5-chloro-2-phenylsulfanylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 9117395) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is N-(5-chloro-2-phenylsulfanylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenylsulfanylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID9117395
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC NameN-(5-chloro-2-phenylsulfanylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)Nc1cc(Cl)ccc1Sc1ccccc1
InChIInChI=1S/C19H17ClN2O2S/c1-12-16(13(2)24-22-12)11-19(23)21-17-10-14(20)8-9-18(17)25-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyNJCCWYFIJQCKIV-UHFFFAOYSA-N
XLogP5.28
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.88
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-phenylsulfanylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 30275732
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 41088769
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(methylaminomethyl)phenyl]acetamide
CID 43601046
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluoro-4-hydroxyphenyl)acetamide
CID 86787189
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 9118132
N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 45495096
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 18107240
N-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 111115673
N-(2,4-dichlorophenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 26115421
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-phenoxyphenyl)acetamide
CID 78794827
N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4852253
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenylsulfanylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-(5-chloro-2-phenylsulfanylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 9117395) is N-(5-chloro-2-phenylsulfanylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-phenylsulfanylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-phenylsulfanylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)Nc1cc(Cl)ccc1Sc1ccccc1.
What is the InChIKey of N-(5-chloro-2-phenylsulfanylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is NJCCWYFIJQCKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-12-16(13(2)24-22-12)11-19(23)21-17-10-14(20)8-9-18(17)25-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of N-(5-chloro-2-phenylsulfanylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-(5-chloro-2-phenylsulfanylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 372.88 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenylsulfanylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 9117395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).