4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide

C17H22N2O3S — CID 11056746

IUPAC4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
SMILESCc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(C)c2)o1
InChIInChI=1S/C17H22N2O3S/c1-11-10-14(8-9-15(11)23(18,20)21)17-16(19-12(2)22-17)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H2,18,20,21)
InChIKeyUNLDSNRPGLBJOT-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.65
Rot. Bonds3

About 4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide

4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide (PubChem CID 11056746) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
PubChem CID11056746
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide
SMILESCc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(C)c2)o1
InChIInChI=1S/C17H22N2O3S/c1-11-10-14(8-9-15(11)23(18,20)21)17-16(19-12(2)22-17)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H2,18,20,21)
InChIKeyUNLDSNRPGLBJOT-UHFFFAOYSA-N
XLogP3.65
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide (CID 11056746) is 4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide is Cc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(C)c2)o1.
What is the InChIKey of 4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide?
The InChIKey is UNLDSNRPGLBJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-11-10-14(8-9-15(11)23(18,20)21)17-16(19-12(2)22-17)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H2,18,20,21).
What are the key properties of 4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide?
4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyl-2-methyl-1,3-oxazol-5-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 11056746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).