4-cycloheptyl-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole

C18H23NO3S — CID 15429222

IUPAC4-cycloheptyl-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole
SMILESCc1nc(C2CCCCCC2)c(-c2ccc(S(C)(=O)=O)cc2)o1
InChIInChI=1S/C18H23NO3S/c1-13-19-17(14-7-5-3-4-6-8-14)18(22-13)15-9-11-16(12-10-15)23(2,20)21/h9-12,14H,3-8H2,1-2H3
InChIKeyGPXXPSBIFFHUIN-UHFFFAOYSA-N
MW333.45 g/mol
LogP4.49
Rot. Bonds3

About 4-cycloheptyl-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole

4-cycloheptyl-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole (PubChem CID 15429222) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 4-cycloheptyl-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-cycloheptyl-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole
PubChem CID15429222
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name4-cycloheptyl-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole
SMILESCc1nc(C2CCCCCC2)c(-c2ccc(S(C)(=O)=O)cc2)o1
InChIInChI=1S/C18H23NO3S/c1-13-19-17(14-7-5-3-4-6-8-14)18(22-13)15-9-11-16(12-10-15)23(2,20)21/h9-12,14H,3-8H2,1-2H3
InChIKeyGPXXPSBIFFHUIN-UHFFFAOYSA-N
XLogP4.49
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-cycloheptyl-2-methyl-5-(4-methylsulfonylphenyl)-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 4-cycloheptyl-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole?
The IUPAC name of 4-cycloheptyl-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole (CID 15429222) is 4-cycloheptyl-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-cycloheptyl-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole?
The canonical SMILES for 4-cycloheptyl-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole is Cc1nc(C2CCCCCC2)c(-c2ccc(S(C)(=O)=O)cc2)o1.
What is the InChIKey of 4-cycloheptyl-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole?
The InChIKey is GPXXPSBIFFHUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-13-19-17(14-7-5-3-4-6-8-14)18(22-13)15-9-11-16(12-10-15)23(2,20)21/h9-12,14H,3-8H2,1-2H3.
What are the key properties of 4-cycloheptyl-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole?
4-cycloheptyl-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole has a molecular weight of 333.45 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-2-methyl-5-(4-methylsulfonylphenyl)-1,3-oxazole is sourced from PubChem (CID 15429222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).