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

C17H20FNO — CID 11129474

IUPAC4-cyclohexyl-2-ethyl-5-(3-fluorophenyl)-1,3-oxazole
SMILESCCc1nc(C2CCCCC2)c(-c2cccc(F)c2)o1
InChIInChI=1S/C17H20FNO/c1-2-15-19-16(12-7-4-3-5-8-12)17(20-15)13-9-6-10-14(18)11-13/h6,9-12H,2-5,7-8H2,1H3
InChIKeyRSXGMROTCLLCIE-UHFFFAOYSA-N
MW273.35 g/mol
LogP5.09
Rot. Bonds3

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

4-cyclohexyl-2-ethyl-5-(3-fluorophenyl)-1,3-oxazole (PubChem CID 11129474) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 4-cyclohexyl-2-ethyl-5-(3-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-cyclohexyl-2-ethyl-5-(3-fluorophenyl)-1,3-oxazole
PubChem CID11129474
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name4-cyclohexyl-2-ethyl-5-(3-fluorophenyl)-1,3-oxazole
SMILESCCc1nc(C2CCCCC2)c(-c2cccc(F)c2)o1
InChIInChI=1S/C17H20FNO/c1-2-15-19-16(12-7-4-3-5-8-12)17(20-15)13-9-6-10-14(18)11-13/h6,9-12H,2-5,7-8H2,1H3
InChIKeyRSXGMROTCLLCIE-UHFFFAOYSA-N
XLogP5.09
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.35
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-cyclohexyl-2-ethyl-5-(3-fluorophenyl)-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-cyclohexyl-2-ethyl-5-(3-fluorophenyl)-1,3-oxazole?
The IUPAC name of 4-cyclohexyl-2-ethyl-5-(3-fluorophenyl)-1,3-oxazole (CID 11129474) is 4-cyclohexyl-2-ethyl-5-(3-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-cyclohexyl-2-ethyl-5-(3-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 4-cyclohexyl-2-ethyl-5-(3-fluorophenyl)-1,3-oxazole is CCc1nc(C2CCCCC2)c(-c2cccc(F)c2)o1.
What is the InChIKey of 4-cyclohexyl-2-ethyl-5-(3-fluorophenyl)-1,3-oxazole?
The InChIKey is RSXGMROTCLLCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-2-15-19-16(12-7-4-3-5-8-12)17(20-15)13-9-6-10-14(18)11-13/h6,9-12H,2-5,7-8H2,1H3.
What are the key properties of 4-cyclohexyl-2-ethyl-5-(3-fluorophenyl)-1,3-oxazole?
4-cyclohexyl-2-ethyl-5-(3-fluorophenyl)-1,3-oxazole has a molecular weight of 273.35 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-ethyl-5-(3-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 11129474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).