4-[benzenesulfonyl(phenyl)methyl]-3,5-dimethyl-1,2-oxazole

C18H17NO3S — CID 3402760

IUPAC4-[benzenesulfonyl(phenyl)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1C(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H17NO3S/c1-13-17(14(2)22-19-13)18(15-9-5-3-6-10-15)23(20,21)16-11-7-4-8-12-16/h3-12,18H,1-2H3
InChIKeyURPIJZDKNGNDAP-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.85
Rot. Bonds4

About 4-[benzenesulfonyl(phenyl)methyl]-3,5-dimethyl-1,2-oxazole

4-[benzenesulfonyl(phenyl)methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 3402760) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-[benzenesulfonyl(phenyl)methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[benzenesulfonyl(phenyl)methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID3402760
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name4-[benzenesulfonyl(phenyl)methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1C(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H17NO3S/c1-13-17(14(2)22-19-13)18(15-9-5-3-6-10-15)23(20,21)16-11-7-4-8-12-16/h3-12,18H,1-2H3
InChIKeyURPIJZDKNGNDAP-UHFFFAOYSA-N
XLogP3.85
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[benzenesulfonyl(phenyl)methyl]-3,5-dimethyl-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 4-[benzenesulfonyl(phenyl)methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[benzenesulfonyl(phenyl)methyl]-3,5-dimethyl-1,2-oxazole (CID 3402760) is 4-[benzenesulfonyl(phenyl)methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[benzenesulfonyl(phenyl)methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[benzenesulfonyl(phenyl)methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1C(c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(phenyl)methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is URPIJZDKNGNDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-13-17(14(2)22-19-13)18(15-9-5-3-6-10-15)23(20,21)16-11-7-4-8-12-16/h3-12,18H,1-2H3.
What are the key properties of 4-[benzenesulfonyl(phenyl)methyl]-3,5-dimethyl-1,2-oxazole?
4-[benzenesulfonyl(phenyl)methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 327.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(phenyl)methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 3402760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).