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

C16H19FN2O — CID 56899721

IUPAC4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2CCCCC2c2ccc(F)cc2)co1
InChIInChI=1S/C16H19FN2O/c1-12-18-15(11-20-12)10-19-9-3-2-4-16(19)13-5-7-14(17)8-6-13/h5-8,11,16H,2-4,9-10H2,1H3
InChIKeyYHDAVQLVUQCPKV-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.85
Rot. Bonds3

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

4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole (PubChem CID 56899721) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole
PubChem CID56899721
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2CCCCC2c2ccc(F)cc2)co1
InChIInChI=1S/C16H19FN2O/c1-12-18-15(11-20-12)10-19-9-3-2-4-16(19)13-5-7-14(17)8-6-13/h5-8,11,16H,2-4,9-10H2,1H3
InChIKeyYHDAVQLVUQCPKV-UHFFFAOYSA-N
XLogP3.85
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(4-fluorophenyl)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-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole (CID 56899721) is 4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole is Cc1nc(CN2CCCCC2c2ccc(F)cc2)co1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole?
The InChIKey is YHDAVQLVUQCPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-12-18-15(11-20-12)10-19-9-3-2-4-16(19)13-5-7-14(17)8-6-13/h5-8,11,16H,2-4,9-10H2,1H3.
What are the key properties of 4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole?
4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole has a molecular weight of 274.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 56899721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).