3-(3-chloro-2-methyl-6-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole

C11H12ClNOS — CID 11195852

IUPAC3-(3-chloro-2-methyl-6-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCSc1ccc(Cl)c(C)c1C1=NOCC1
InChIInChI=1S/C11H12ClNOS/c1-7-8(12)3-4-10(15-2)11(7)9-5-6-14-13-9/h3-4H,5-6H2,1-2H3
InChIKeyXGLWERHWHARHCU-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.49
Rot. Bonds2

About 3-(3-chloro-2-methyl-6-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole

3-(3-chloro-2-methyl-6-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 11195852) has the molecular formula C11H12ClNOS and a molecular weight of 241.74 g/mol. Its IUPAC name is 3-(3-chloro-2-methyl-6-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(3-chloro-2-methyl-6-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID11195852
Molecular FormulaC11H12ClNOS
Molecular Weight241.74 g/mol
Exact Mass241.03
IUPAC Name3-(3-chloro-2-methyl-6-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole
SMILESCSc1ccc(Cl)c(C)c1C1=NOCC1
InChIInChI=1S/C11H12ClNOS/c1-7-8(12)3-4-10(15-2)11(7)9-5-6-14-13-9/h3-4H,5-6H2,1-2H3
InChIKeyXGLWERHWHARHCU-UHFFFAOYSA-N
XLogP3.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-chloro-2-methyl-6-methylsulfanylphenyl)-4,5-dihydro-1,2-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 3-(3-chloro-2-methyl-6-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(3-chloro-2-methyl-6-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole (CID 11195852) is 3-(3-chloro-2-methyl-6-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(3-chloro-2-methyl-6-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(3-chloro-2-methyl-6-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole is CSc1ccc(Cl)c(C)c1C1=NOCC1.
What is the InChIKey of 3-(3-chloro-2-methyl-6-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is XGLWERHWHARHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNOS/c1-7-8(12)3-4-10(15-2)11(7)9-5-6-14-13-9/h3-4H,5-6H2,1-2H3.
What are the key properties of 3-(3-chloro-2-methyl-6-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole?
3-(3-chloro-2-methyl-6-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 241.74 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methyl-6-methylsulfanylphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 11195852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).