2-(4-chlorophenyl)-5-propan-2-ylsulfonyl-1,3-benzoxazole

C16H14ClNO3S — CID 53238825

IUPAC2-(4-chlorophenyl)-5-propan-2-ylsulfonyl-1,3-benzoxazole
SMILESCC(C)S(=O)(=O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C16H14ClNO3S/c1-10(2)22(19,20)13-7-8-15-14(9-13)18-16(21-15)11-3-5-12(17)6-4-11/h3-10H,1-2H3
InChIKeyHOLGNEWOUBEKAT-UHFFFAOYSA-N
MW335.81 g/mol
LogP4.33
Rot. Bonds3

About 2-(4-chlorophenyl)-5-propan-2-ylsulfonyl-1,3-benzoxazole

2-(4-chlorophenyl)-5-propan-2-ylsulfonyl-1,3-benzoxazole (PubChem CID 53238825) has the molecular formula C16H14ClNO3S and a molecular weight of 335.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-propan-2-ylsulfonyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-propan-2-ylsulfonyl-1,3-benzoxazole
PubChem CID53238825
Molecular FormulaC16H14ClNO3S
Molecular Weight335.81 g/mol
Exact Mass335.04
IUPAC Name2-(4-chlorophenyl)-5-propan-2-ylsulfonyl-1,3-benzoxazole
SMILESCC(C)S(=O)(=O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C16H14ClNO3S/c1-10(2)22(19,20)13-7-8-15-14(9-13)18-16(21-15)11-3-5-12(17)6-4-11/h3-10H,1-2H3
InChIKeyHOLGNEWOUBEKAT-UHFFFAOYSA-N
XLogP4.33
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-5-propan-2-ylsulfonyl-1,3-benzoxazole 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-chlorophenyl)-5-propan-2-ylsulfonyl-1,3-benzoxazole?
The IUPAC name of 2-(4-chlorophenyl)-5-propan-2-ylsulfonyl-1,3-benzoxazole (CID 53238825) is 2-(4-chlorophenyl)-5-propan-2-ylsulfonyl-1,3-benzoxazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-propan-2-ylsulfonyl-1,3-benzoxazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-propan-2-ylsulfonyl-1,3-benzoxazole is CC(C)S(=O)(=O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of 2-(4-chlorophenyl)-5-propan-2-ylsulfonyl-1,3-benzoxazole?
The InChIKey is HOLGNEWOUBEKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3S/c1-10(2)22(19,20)13-7-8-15-14(9-13)18-16(21-15)11-3-5-12(17)6-4-11/h3-10H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-propan-2-ylsulfonyl-1,3-benzoxazole?
2-(4-chlorophenyl)-5-propan-2-ylsulfonyl-1,3-benzoxazole has a molecular weight of 335.81 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-propan-2-ylsulfonyl-1,3-benzoxazole is sourced from PubChem (CID 53238825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).