5-piperidin-3-yl-3-(trifluoromethyl)-1,2-oxazole

C9H11F3N2O — CID 83849509

IUPAC5-piperidin-3-yl-3-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(C2CCCNC2)on1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)8-4-7(15-14-8)6-2-1-3-13-5-6/h4,6,13H,1-3,5H2
InChIKeyJYZIQXANMQKKBK-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.16
Rot. Bonds1

About 5-piperidin-3-yl-3-(trifluoromethyl)-1,2-oxazole

5-piperidin-3-yl-3-(trifluoromethyl)-1,2-oxazole (PubChem CID 83849509) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 5-piperidin-3-yl-3-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-piperidin-3-yl-3-(trifluoromethyl)-1,2-oxazole
PubChem CID83849509
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name5-piperidin-3-yl-3-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(C2CCCNC2)on1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)8-4-7(15-14-8)6-2-1-3-13-5-6/h4,6,13H,1-3,5H2
InChIKeyJYZIQXANMQKKBK-UHFFFAOYSA-N
XLogP2.16
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3,5-bis(trifluoromethyl)phenyl]piperidine
CID 45073834
(3R)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074264
(3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074262
5-[(3R)-piperidin-3-yl]-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 104911956
5-[(3R)-piperidin-3-yl]-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472776
(3S)-3-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-5-yl]piperidine
CID 141269013
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
2-piperidin-3-yl-5-[6-(trifluoromethyl)-3-pyridinyl]-1,3,4-thiadiazole
CID 166104096
5-(piperidin-2-ylmethyl)-3-(trifluoromethyl)-1,2-oxazole
CID 83850637
2-piperidin-3-yl-3-(trifluoromethyl)-1H-indole
CID 67535251
5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939518
2,4-di(piperidin-3-yl)-1,3-oxazole
CID 115040991

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-3-yl-3-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 5-piperidin-3-yl-3-(trifluoromethyl)-1,2-oxazole (CID 83849509) is 5-piperidin-3-yl-3-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 5-piperidin-3-yl-3-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 5-piperidin-3-yl-3-(trifluoromethyl)-1,2-oxazole is FC(F)(F)c1cc(C2CCCNC2)on1.
What is the InChIKey of 5-piperidin-3-yl-3-(trifluoromethyl)-1,2-oxazole?
The InChIKey is JYZIQXANMQKKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)8-4-7(15-14-8)6-2-1-3-13-5-6/h4,6,13H,1-3,5H2.
What are the key properties of 5-piperidin-3-yl-3-(trifluoromethyl)-1,2-oxazole?
5-piperidin-3-yl-3-(trifluoromethyl)-1,2-oxazole has a molecular weight of 220.19 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-3-yl-3-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 83849509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).