3-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]-1,2-benzoxazole

C15H17F3N2O — CID 171326546

IUPAC3-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]-1,2-benzoxazole
SMILESFC(F)(F)CC1CCN(Cc2noc3ccccc23)CC1
InChIInChI=1S/C15H17F3N2O/c16-15(17,18)9-11-5-7-20(8-6-11)10-13-12-3-1-2-4-14(12)21-19-13/h1-4,11H,5-10H2
InChIKeyPLVWRSSPWKQBLA-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.99
Rot. Bonds3

About 3-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]-1,2-benzoxazole

3-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]-1,2-benzoxazole (PubChem CID 171326546) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 3-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]-1,2-benzoxazole.

Molecular Properties

Compound Name3-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]-1,2-benzoxazole
PubChem CID171326546
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name3-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]-1,2-benzoxazole
SMILESFC(F)(F)CC1CCN(Cc2noc3ccccc23)CC1
InChIInChI=1S/C15H17F3N2O/c16-15(17,18)9-11-5-7-20(8-6-11)10-13-12-3-1-2-4-14(12)21-19-13/h1-4,11H,5-10H2
InChIKeyPLVWRSSPWKQBLA-UHFFFAOYSA-N
XLogP3.99
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]-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

Related Compounds

3-[(3-fluoroazetidin-1-yl)methyl]-1,2-benzoxazole
CID 171326457
3-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171327275
[4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]-cyclohexylmethanone
CID 20972229
6-fluoro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,2-benzoxazole
CID 171996239
3-[[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171997360
3-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2-benzoxazole
CID 46379731
2-(1,2-benzoxazol-3-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 163346761
3-[2-(4-methoxypiperidin-1-yl)ethyl]-1,2-benzoxazole
CID 22989642
3-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2-benzoxazole
CID 46379757
1-(1,2-benzoxazol-3-ylmethyl)pyrrolidine-2,5-dione
CID 162373253
3-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171997329
N-(1,2-benzoxazol-3-ylmethyl)-1-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 171329070

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]-1,2-benzoxazole?
The IUPAC name of 3-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]-1,2-benzoxazole (CID 171326546) is 3-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]-1,2-benzoxazole.
What is the SMILES notation for 3-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]-1,2-benzoxazole?
The canonical SMILES for 3-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]-1,2-benzoxazole is FC(F)(F)CC1CCN(Cc2noc3ccccc23)CC1.
What is the InChIKey of 3-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]-1,2-benzoxazole?
The InChIKey is PLVWRSSPWKQBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c16-15(17,18)9-11-5-7-20(8-6-11)10-13-12-3-1-2-4-14(12)21-19-13/h1-4,11H,5-10H2.
What are the key properties of 3-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]-1,2-benzoxazole?
3-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]-1,2-benzoxazole has a molecular weight of 298.31 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]-1,2-benzoxazole is sourced from PubChem (CID 171326546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).