5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole

C16H12ClNOS — CID 12995330

IUPAC5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2ncc(Sc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C16H12ClNOS/c1-11-2-4-12(5-3-11)16-18-10-15(19-16)20-14-8-6-13(17)7-9-14/h2-10H,1H3
InChIKeyGSDAJABQHIAQLJ-UHFFFAOYSA-N
MW301.80 g/mol
LogP5.45
Rot. Bonds3

About 5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole

5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole (PubChem CID 12995330) has the molecular formula C16H12ClNOS and a molecular weight of 301.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole
PubChem CID12995330
Molecular FormulaC16H12ClNOS
Molecular Weight301.80 g/mol
Exact Mass301.03
IUPAC Name5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2ncc(Sc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C16H12ClNOS/c1-11-2-4-12(5-3-11)16-18-10-15(19-16)20-14-8-6-13(17)7-9-14/h2-10H,1H3
InChIKeyGSDAJABQHIAQLJ-UHFFFAOYSA-N
XLogP5.45
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.80
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole 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 5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole (CID 12995330) is 5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole is Cc1ccc(-c2ncc(Sc3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole?
The InChIKey is GSDAJABQHIAQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNOS/c1-11-2-4-12(5-3-11)16-18-10-15(19-16)20-14-8-6-13(17)7-9-14/h2-10H,1H3.
What are the key properties of 5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole?
5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole has a molecular weight of 301.80 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfanyl-2-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 12995330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).