3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole

C16H19FN2O — CID 75204034

IUPAC3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole
SMILESFc1ccc(-c2nocc2CCN2CCCCC2)cc1
InChIInChI=1S/C16H19FN2O/c17-15-6-4-13(5-7-15)16-14(12-20-18-16)8-11-19-9-2-1-3-10-19/h4-7,12H,1-3,8-11H2
InChIKeyUOMSXDOYCIQIAP-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.51
Rot. Bonds4

About 3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole

3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole (PubChem CID 75204034) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole
PubChem CID75204034
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole
SMILESFc1ccc(-c2nocc2CCN2CCCCC2)cc1
InChIInChI=1S/C16H19FN2O/c17-15-6-4-13(5-7-15)16-14(12-20-18-16)8-11-19-9-2-1-3-10-19/h4-7,12H,1-3,8-11H2
InChIKeyUOMSXDOYCIQIAP-UHFFFAOYSA-N
XLogP3.51
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-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 3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole (CID 75204034) is 3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole is Fc1ccc(-c2nocc2CCN2CCCCC2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole?
The InChIKey is UOMSXDOYCIQIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c17-15-6-4-13(5-7-15)16-14(12-20-18-16)8-11-19-9-2-1-3-10-19/h4-7,12H,1-3,8-11H2.
What are the key properties of 3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole?
3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole has a molecular weight of 274.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole is sourced from PubChem (CID 75204034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).