2-cyclohexylsulfonyl-4-methyl-1,3-oxazole

C10H15NO3S — CID 21329710

IUPAC2-cyclohexylsulfonyl-4-methyl-1,3-oxazole
SMILESCc1coc(S(=O)(=O)C2CCCCC2)n1
InChIInChI=1S/C10H15NO3S/c1-8-7-14-10(11-8)15(12,13)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyZOBZPIGODYBZND-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.09
Rot. Bonds2

About 2-cyclohexylsulfonyl-4-methyl-1,3-oxazole

2-cyclohexylsulfonyl-4-methyl-1,3-oxazole (PubChem CID 21329710) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-cyclohexylsulfonyl-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-cyclohexylsulfonyl-4-methyl-1,3-oxazole
PubChem CID21329710
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name2-cyclohexylsulfonyl-4-methyl-1,3-oxazole
SMILESCc1coc(S(=O)(=O)C2CCCCC2)n1
InChIInChI=1S/C10H15NO3S/c1-8-7-14-10(11-8)15(12,13)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyZOBZPIGODYBZND-UHFFFAOYSA-N
XLogP2.09
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexylsulfonyl-4-methyl-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-cyclohexylsulfonyl-4-methyl-1,3-oxazole?
The IUPAC name of 2-cyclohexylsulfonyl-4-methyl-1,3-oxazole (CID 21329710) is 2-cyclohexylsulfonyl-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-cyclohexylsulfonyl-4-methyl-1,3-oxazole?
The canonical SMILES for 2-cyclohexylsulfonyl-4-methyl-1,3-oxazole is Cc1coc(S(=O)(=O)C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexylsulfonyl-4-methyl-1,3-oxazole?
The InChIKey is ZOBZPIGODYBZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-8-7-14-10(11-8)15(12,13)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3.
What are the key properties of 2-cyclohexylsulfonyl-4-methyl-1,3-oxazole?
2-cyclohexylsulfonyl-4-methyl-1,3-oxazole has a molecular weight of 229.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfonyl-4-methyl-1,3-oxazole is sourced from PubChem (CID 21329710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).