6-fluoro-4-piperidin-1-yl-1,2-benzoxazole

C12H13FN2O — CID 68639436

IUPAC6-fluoro-4-piperidin-1-yl-1,2-benzoxazole
SMILESFc1cc(N2CCCCC2)c2cnoc2c1
InChIInChI=1S/C12H13FN2O/c13-9-6-11(15-4-2-1-3-5-15)10-8-14-16-12(10)7-9/h6-8H,1-5H2
InChIKeyLOEYSPBCNCENMQ-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.96
Rot. Bonds1

About 6-fluoro-4-piperidin-1-yl-1,2-benzoxazole

6-fluoro-4-piperidin-1-yl-1,2-benzoxazole (PubChem CID 68639436) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 6-fluoro-4-piperidin-1-yl-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-4-piperidin-1-yl-1,2-benzoxazole
PubChem CID68639436
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name6-fluoro-4-piperidin-1-yl-1,2-benzoxazole
SMILESFc1cc(N2CCCCC2)c2cnoc2c1
InChIInChI=1S/C12H13FN2O/c13-9-6-11(15-4-2-1-3-5-15)10-8-14-16-12(10)7-9/h6-8H,1-5H2
InChIKeyLOEYSPBCNCENMQ-UHFFFAOYSA-N
XLogP2.96
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-4-piperidin-1-yl-1,2-benzoxazole 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 6-fluoro-4-piperidin-1-yl-1,2-benzoxazole?
The IUPAC name of 6-fluoro-4-piperidin-1-yl-1,2-benzoxazole (CID 68639436) is 6-fluoro-4-piperidin-1-yl-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-4-piperidin-1-yl-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-4-piperidin-1-yl-1,2-benzoxazole is Fc1cc(N2CCCCC2)c2cnoc2c1.
What is the InChIKey of 6-fluoro-4-piperidin-1-yl-1,2-benzoxazole?
The InChIKey is LOEYSPBCNCENMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-9-6-11(15-4-2-1-3-5-15)10-8-14-16-12(10)7-9/h6-8H,1-5H2.
What are the key properties of 6-fluoro-4-piperidin-1-yl-1,2-benzoxazole?
6-fluoro-4-piperidin-1-yl-1,2-benzoxazole has a molecular weight of 220.25 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-piperidin-1-yl-1,2-benzoxazole is sourced from PubChem (CID 68639436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).