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

C10H9NOS — CID 18712778

IUPAC2-(4-methylphenyl)sulfanyl-1,3-oxazole
SMILESCc1ccc(Sc2ncco2)cc1
InChIInChI=1S/C10H9NOS/c1-8-2-4-9(5-3-8)13-10-11-6-7-12-10/h2-7H,1H3
InChIKeyMVRATAJOLJDQME-UHFFFAOYSA-N
MW191.25 g/mol
LogP3.13
Rot. Bonds2

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

2-(4-methylphenyl)sulfanyl-1,3-oxazole (PubChem CID 18712778) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-1,3-oxazole
PubChem CID18712778
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name2-(4-methylphenyl)sulfanyl-1,3-oxazole
SMILESCc1ccc(Sc2ncco2)cc1
InChIInChI=1S/C10H9NOS/c1-8-2-4-9(5-3-8)13-10-11-6-7-12-10/h2-7H,1H3
InChIKeyMVRATAJOLJDQME-UHFFFAOYSA-N
XLogP3.13
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylphenyl)sulfanyl-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 2-(4-methylphenyl)sulfanyl-1,3-oxazole?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-1,3-oxazole (CID 18712778) is 2-(4-methylphenyl)sulfanyl-1,3-oxazole.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-1,3-oxazole?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-1,3-oxazole is Cc1ccc(Sc2ncco2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-1,3-oxazole?
The InChIKey is MVRATAJOLJDQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-8-2-4-9(5-3-8)13-10-11-6-7-12-10/h2-7H,1H3.
What are the key properties of 2-(4-methylphenyl)sulfanyl-1,3-oxazole?
2-(4-methylphenyl)sulfanyl-1,3-oxazole has a molecular weight of 191.25 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-1,3-oxazole is sourced from PubChem (CID 18712778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).