4-cyclohexyl-2-ethyl-5-(4-methylsulfonylphenyl)-1,3-oxazole

C18H23NO3S — CID 15429218

IUPAC4-cyclohexyl-2-ethyl-5-(4-methylsulfonylphenyl)-1,3-oxazole
SMILESCCc1nc(C2CCCCC2)c(-c2ccc(S(C)(=O)=O)cc2)o1
InChIInChI=1S/C18H23NO3S/c1-3-16-19-17(13-7-5-4-6-8-13)18(22-16)14-9-11-15(12-10-14)23(2,20)21/h9-13H,3-8H2,1-2H3
InChIKeyUXGHLOTWJFSCHD-UHFFFAOYSA-N
MW333.45 g/mol
LogP4.36
Rot. Bonds4

About 4-cyclohexyl-2-ethyl-5-(4-methylsulfonylphenyl)-1,3-oxazole

4-cyclohexyl-2-ethyl-5-(4-methylsulfonylphenyl)-1,3-oxazole (PubChem CID 15429218) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 4-cyclohexyl-2-ethyl-5-(4-methylsulfonylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-cyclohexyl-2-ethyl-5-(4-methylsulfonylphenyl)-1,3-oxazole
PubChem CID15429218
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name4-cyclohexyl-2-ethyl-5-(4-methylsulfonylphenyl)-1,3-oxazole
SMILESCCc1nc(C2CCCCC2)c(-c2ccc(S(C)(=O)=O)cc2)o1
InChIInChI=1S/C18H23NO3S/c1-3-16-19-17(13-7-5-4-6-8-13)18(22-16)14-9-11-15(12-10-14)23(2,20)21/h9-13H,3-8H2,1-2H3
InChIKeyUXGHLOTWJFSCHD-UHFFFAOYSA-N
XLogP4.36
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-ethyl-5-(4-methylsulfonylphenyl)-1,3-oxazole?
The IUPAC name of 4-cyclohexyl-2-ethyl-5-(4-methylsulfonylphenyl)-1,3-oxazole (CID 15429218) is 4-cyclohexyl-2-ethyl-5-(4-methylsulfonylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-cyclohexyl-2-ethyl-5-(4-methylsulfonylphenyl)-1,3-oxazole?
The canonical SMILES for 4-cyclohexyl-2-ethyl-5-(4-methylsulfonylphenyl)-1,3-oxazole is CCc1nc(C2CCCCC2)c(-c2ccc(S(C)(=O)=O)cc2)o1.
What is the InChIKey of 4-cyclohexyl-2-ethyl-5-(4-methylsulfonylphenyl)-1,3-oxazole?
The InChIKey is UXGHLOTWJFSCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-3-16-19-17(13-7-5-4-6-8-13)18(22-16)14-9-11-15(12-10-14)23(2,20)21/h9-13H,3-8H2,1-2H3.
What are the key properties of 4-cyclohexyl-2-ethyl-5-(4-methylsulfonylphenyl)-1,3-oxazole?
4-cyclohexyl-2-ethyl-5-(4-methylsulfonylphenyl)-1,3-oxazole has a molecular weight of 333.45 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-ethyl-5-(4-methylsulfonylphenyl)-1,3-oxazole is sourced from PubChem (CID 15429218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).