2-piperidin-2-yl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole

C15H17F3N2O — CID 115061404

IUPAC2-piperidin-2-yl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccccc1C1CN=C(C2CCCCN2)O1
InChIInChI=1S/C15H17F3N2O/c16-15(17,18)11-6-2-1-5-10(11)13-9-20-14(21-13)12-7-3-4-8-19-12/h1-2,5-6,12-13,19H,3-4,7-9H2
InChIKeySBFAGDZIPIAWEL-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.32
Rot. Bonds2

About 2-piperidin-2-yl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole

2-piperidin-2-yl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 115061404) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-piperidin-2-yl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-piperidin-2-yl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID115061404
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name2-piperidin-2-yl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccccc1C1CN=C(C2CCCCN2)O1
InChIInChI=1S/C15H17F3N2O/c16-15(17,18)11-6-2-1-5-10(11)13-9-20-14(21-13)12-7-3-4-8-19-12/h1-2,5-6,12-13,19H,3-4,7-9H2
InChIKeySBFAGDZIPIAWEL-UHFFFAOYSA-N
XLogP3.32
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine
CID 171195572
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195066
(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195018
(2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine
CID 126961273
3-piperidin-2-yl-4-(trifluoromethyl)pyridine
CID 103692989
(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196381
2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline
CID 66519144
5-piperidin-2-yl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
CID 115080825
(2R)-2-[2,5-bis(trifluoromethyl)phenyl]pyrrolidine
CID 171196002
2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine
CID 117463427
2-(2-cyclopentylphenyl)piperidine
CID 115005914
2-[(2R)-pyrrolidin-2-yl]benzenethiol
CID 66518323

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-piperidin-2-yl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 115061404) is 2-piperidin-2-yl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-piperidin-2-yl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-piperidin-2-yl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is FC(F)(F)c1ccccc1C1CN=C(C2CCCCN2)O1.
What is the InChIKey of 2-piperidin-2-yl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is SBFAGDZIPIAWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c16-15(17,18)11-6-2-1-5-10(11)13-9-20-14(21-13)12-7-3-4-8-19-12/h1-2,5-6,12-13,19H,3-4,7-9H2.
What are the key properties of 2-piperidin-2-yl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
2-piperidin-2-yl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 298.31 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 115061404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).