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

C13H13ClN2O2S — CID 9457062

IUPACN-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)Nc2cccc(Cl)c2)oc1C
InChIInChI=1S/C13H13ClN2O2S/c1-8-9(2)18-13(15-8)19-7-12(17)16-11-5-3-4-10(14)6-11/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyPYGBDFFLXWXBMU-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.68
Rot. Bonds4

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

N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide (PubChem CID 9457062) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
PubChem CID9457062
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC NameN-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)Nc2cccc(Cl)c2)oc1C
InChIInChI=1S/C13H13ClN2O2S/c1-8-9(2)18-13(15-8)19-7-12(17)16-11-5-3-4-10(14)6-11/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyPYGBDFFLXWXBMU-UHFFFAOYSA-N
XLogP3.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide (CID 9457062) is N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide is Cc1nc(SCC(=O)Nc2cccc(Cl)c2)oc1C.
What is the InChIKey of N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The InChIKey is PYGBDFFLXWXBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-8-9(2)18-13(15-8)19-7-12(17)16-11-5-3-4-10(14)6-11/h3-6H,7H2,1-2H3,(H,16,17).
What are the key properties of N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide has a molecular weight of 296.78 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 9457062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).