2,1-benzoxazol-3-yl-[4-[2-(1,1,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone

C21H19F3N2O2 — CID 118872362

IUPAC2,1-benzoxazol-3-yl-[4-[2-(1,1,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(c1onc2ccccc12)N1CCC(c2ccccc2C(F)(F)CF)CC1
InChIInChI=1S/C21H19F3N2O2/c22-13-21(23,24)17-7-3-1-5-15(17)14-9-11-26(12-10-14)20(27)19-16-6-2-4-8-18(16)25-28-19/h1-8,14H,9-13H2
InChIKeyJCZOABAXTNHLDR-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.91
Rot. Bonds4

About 2,1-benzoxazol-3-yl-[4-[2-(1,1,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone

2,1-benzoxazol-3-yl-[4-[2-(1,1,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 118872362) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 2,1-benzoxazol-3-yl-[4-[2-(1,1,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,1-benzoxazol-3-yl-[4-[2-(1,1,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone
PubChem CID118872362
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name2,1-benzoxazol-3-yl-[4-[2-(1,1,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(c1onc2ccccc12)N1CCC(c2ccccc2C(F)(F)CF)CC1
InChIInChI=1S/C21H19F3N2O2/c22-13-21(23,24)17-7-3-1-5-15(17)14-9-11-26(12-10-14)20(27)19-16-6-2-4-8-18(16)25-28-19/h1-8,14H,9-13H2
InChIKeyJCZOABAXTNHLDR-UHFFFAOYSA-N
XLogP4.91
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157281554
[(4aR,7aR)-6-[1-(trifluoromethyl)cyclopropanecarbonyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl]-(2,1-benzoxazol-3-yl)methanone
CID 171675416
1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 137456369
1-(2,1-benzoxazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 154306705
(7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157188128
2-(2-methylphenyl)-1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 159142820
1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 137456363
(5-fluoro-1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 118872336
1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]phenyl]ethanone
CID 158400377
(1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157111803
methyl 2-[2-oxo-2-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]benzoate
CID 159388662
2,3-dihydro-1H-triazol-2-ium-4-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 163928926

Frequently Asked Questions

What is the IUPAC name of 2,1-benzoxazol-3-yl-[4-[2-(1,1,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of 2,1-benzoxazol-3-yl-[4-[2-(1,1,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone (CID 118872362) is 2,1-benzoxazol-3-yl-[4-[2-(1,1,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for 2,1-benzoxazol-3-yl-[4-[2-(1,1,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for 2,1-benzoxazol-3-yl-[4-[2-(1,1,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone is O=C(c1onc2ccccc12)N1CCC(c2ccccc2C(F)(F)CF)CC1.
What is the InChIKey of 2,1-benzoxazol-3-yl-[4-[2-(1,1,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is JCZOABAXTNHLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c22-13-21(23,24)17-7-3-1-5-15(17)14-9-11-26(12-10-14)20(27)19-16-6-2-4-8-18(16)25-28-19/h1-8,14H,9-13H2.
What are the key properties of 2,1-benzoxazol-3-yl-[4-[2-(1,1,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone?
2,1-benzoxazol-3-yl-[4-[2-(1,1,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 388.39 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1-benzoxazol-3-yl-[4-[2-(1,1,2-trifluoroethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 118872362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).