4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole

C17H21FN2O — CID 56884861

IUPAC4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2CCC(Cc3ccc(F)cc3)CC2)co1
InChIInChI=1S/C17H21FN2O/c1-13-19-17(12-21-13)11-20-8-6-15(7-9-20)10-14-2-4-16(18)5-3-14/h2-5,12,15H,6-11H2,1H3
InChIKeyOESYRVGQYQSVNY-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.58
Rot. Bonds4

About 4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole

4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole (PubChem CID 56884861) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole
PubChem CID56884861
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2CCC(Cc3ccc(F)cc3)CC2)co1
InChIInChI=1S/C17H21FN2O/c1-13-19-17(12-21-13)11-20-8-6-15(7-9-20)10-14-2-4-16(18)5-3-14/h2-5,12,15H,6-11H2,1H3
InChIKeyOESYRVGQYQSVNY-UHFFFAOYSA-N
XLogP3.58
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-methyl-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-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole (CID 56884861) is 4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole is Cc1nc(CN2CCC(Cc3ccc(F)cc3)CC2)co1.
What is the InChIKey of 4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole?
The InChIKey is OESYRVGQYQSVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-13-19-17(12-21-13)11-20-8-6-15(7-9-20)10-14-2-4-16(18)5-3-14/h2-5,12,15H,6-11H2,1H3.
What are the key properties of 4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole?
4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole has a molecular weight of 288.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 56884861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).