N-(1,2-oxazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C11H16F3N3O — CID 81170988

IUPACN-(1,2-oxazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCc2ccon2)CC1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)8-17-4-1-9(2-5-17)15-7-10-3-6-18-16-10/h3,6,9,15H,1-2,4-5,7-8H2
InChIKeyLDNWBIPIUQWXOO-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.79
Rot. Bonds4

About N-(1,2-oxazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(1,2-oxazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 81170988) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID81170988
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCc2ccon2)CC1
InChIInChI=1S/C11H16F3N3O/c12-11(13,14)8-17-4-1-9(2-5-17)15-7-10-3-6-18-16-10/h3,6,9,15H,1-2,4-5,7-8H2
InChIKeyLDNWBIPIUQWXOO-UHFFFAOYSA-N
XLogP1.79
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,2-oxazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine 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 N-(1,2-oxazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 81170988) is N-(1,2-oxazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCc2ccon2)CC1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is LDNWBIPIUQWXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c12-11(13,14)8-17-4-1-9(2-5-17)15-7-10-3-6-18-16-10/h3,6,9,15H,1-2,4-5,7-8H2.
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(1,2-oxazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 263.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 81170988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).