5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole

C11H16F2N2O — CID 84793599

IUPAC5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole
SMILESCC(F)(F)c1cnc(CC2CCNCC2)o1
InChIInChI=1S/C11H16F2N2O/c1-11(12,13)9-7-15-10(16-9)6-8-2-4-14-5-3-8/h7-8,14H,2-6H2,1H3
InChIKeyFBQQTLSGQZIISH-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.33
Rot. Bonds3

About 5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole

5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole (PubChem CID 84793599) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole
PubChem CID84793599
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole
SMILESCC(F)(F)c1cnc(CC2CCNCC2)o1
InChIInChI=1S/C11H16F2N2O/c1-11(12,13)9-7-15-10(16-9)6-8-2-4-14-5-3-8/h7-8,14H,2-6H2,1H3
InChIKeyFBQQTLSGQZIISH-UHFFFAOYSA-N
XLogP2.33
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethyl)-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 5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole?
The IUPAC name of 5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole (CID 84793599) is 5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole?
The canonical SMILES for 5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole is CC(F)(F)c1cnc(CC2CCNCC2)o1.
What is the InChIKey of 5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole?
The InChIKey is FBQQTLSGQZIISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-11(12,13)9-7-15-10(16-9)6-8-2-4-14-5-3-8/h7-8,14H,2-6H2,1H3.
What are the key properties of 5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole?
5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole has a molecular weight of 230.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-2-(piperidin-4-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 84793599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).