2-benzyl-4-cyclohex-2-en-1-yl-5-(4-methylsulfonylphenyl)-1,3-oxazole

C23H23NO3S — CID 18701542

IUPAC2-benzyl-4-cyclohex-2-en-1-yl-5-(4-methylsulfonylphenyl)-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(-c2oc(Cc3ccccc3)nc2C2C=CCCC2)cc1
InChIInChI=1S/C23H23NO3S/c1-28(25,26)20-14-12-19(13-15-20)23-22(18-10-6-3-7-11-18)24-21(27-23)16-17-8-4-2-5-9-17/h2,4-6,8-10,12-15,18H,3,7,11,16H2,1H3
InChIKeyWAXUXYYANXPFJL-UHFFFAOYSA-N
MW393.51 g/mol
LogP5.16
Rot. Bonds5

About 2-benzyl-4-cyclohex-2-en-1-yl-5-(4-methylsulfonylphenyl)-1,3-oxazole

2-benzyl-4-cyclohex-2-en-1-yl-5-(4-methylsulfonylphenyl)-1,3-oxazole (PubChem CID 18701542) has the molecular formula C23H23NO3S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-benzyl-4-cyclohex-2-en-1-yl-5-(4-methylsulfonylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-benzyl-4-cyclohex-2-en-1-yl-5-(4-methylsulfonylphenyl)-1,3-oxazole
PubChem CID18701542
Molecular FormulaC23H23NO3S
Molecular Weight393.51 g/mol
Exact Mass393.14
IUPAC Name2-benzyl-4-cyclohex-2-en-1-yl-5-(4-methylsulfonylphenyl)-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(-c2oc(Cc3ccccc3)nc2C2C=CCCC2)cc1
InChIInChI=1S/C23H23NO3S/c1-28(25,26)20-14-12-19(13-15-20)23-22(18-10-6-3-7-11-18)24-21(27-23)16-17-8-4-2-5-9-17/h2,4-6,8-10,12-15,18H,3,7,11,16H2,1H3
InChIKeyWAXUXYYANXPFJL-UHFFFAOYSA-N
XLogP5.16
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-benzyl-4-cyclohex-2-en-1-yl-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

Related Compounds

Tilmacoxib
CID 159271
4-Cyclohexyl-5-(4-methanesulfonyl-phenyl)-2-methyl-oxazole
CID 9861854
Benzenesulfonamide,4-(4-cyclohexyl-2-methyl-5-oxazolyl)-
CID 9861888
4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2-methyl-oxazole
CID 9967345
5-(4-Methanesulfonyl-phenyl)-2-methyl-4-phenyl-oxazole
CID 10041271
5-(4-Methanesulfonyl-phenyl)-2-methyl-4-(5-methyl-thiophen-2-yl)-oxazole
CID 10088207
4-[4-(4-Fluoro-phenyl)-2-methyl-oxazol-5-yl]-benzenesulfonamide
CID 10936484
2-Fluoro-4-[4-(4-fluoro-phenyl)-2-methyl-oxazol-5-yl]-benzenesulfonamide
CID 11068088
4-Cyclohexyl-2-ethyl-5-(4-methanesulfonyl-phenyl)-oxazole
CID 15429218
4-Cycloheptyl-5-(4-methanesulfonyl-phenyl)-2-methyl-oxazole
CID 15429222
4-(4-Cyclohexyl-2-ethyl-oxazol-5-yl)-2-fluoro-benzenesulfonamide
CID 10937079
4-(4-Cyclohexyl-2-isopropyl-oxazol-5-yl)-2-fluoro-benzenesulfonamide
CID 11003065

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-cyclohex-2-en-1-yl-5-(4-methylsulfonylphenyl)-1,3-oxazole?
The IUPAC name of 2-benzyl-4-cyclohex-2-en-1-yl-5-(4-methylsulfonylphenyl)-1,3-oxazole (CID 18701542) is 2-benzyl-4-cyclohex-2-en-1-yl-5-(4-methylsulfonylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-benzyl-4-cyclohex-2-en-1-yl-5-(4-methylsulfonylphenyl)-1,3-oxazole?
The canonical SMILES for 2-benzyl-4-cyclohex-2-en-1-yl-5-(4-methylsulfonylphenyl)-1,3-oxazole is CS(=O)(=O)c1ccc(-c2oc(Cc3ccccc3)nc2C2C=CCCC2)cc1.
What is the InChIKey of 2-benzyl-4-cyclohex-2-en-1-yl-5-(4-methylsulfonylphenyl)-1,3-oxazole?
The InChIKey is WAXUXYYANXPFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3S/c1-28(25,26)20-14-12-19(13-15-20)23-22(18-10-6-3-7-11-18)24-21(27-23)16-17-8-4-2-5-9-17/h2,4-6,8-10,12-15,18H,3,7,11,16H2,1H3.
What are the key properties of 2-benzyl-4-cyclohex-2-en-1-yl-5-(4-methylsulfonylphenyl)-1,3-oxazole?
2-benzyl-4-cyclohex-2-en-1-yl-5-(4-methylsulfonylphenyl)-1,3-oxazole has a molecular weight of 393.51 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-cyclohex-2-en-1-yl-5-(4-methylsulfonylphenyl)-1,3-oxazole is sourced from PubChem (CID 18701542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).