(2,6-difluorophenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

C21H16F5N3O2 — CID 121069158

IUPAC(2,6-difluorophenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCCC(c2nnc(-c3ccc(C(F)(F)F)cc3)o2)C1
InChIInChI=1S/C21H16F5N3O2/c22-15-4-1-5-16(23)17(15)20(30)29-10-2-3-13(11-29)19-28-27-18(31-19)12-6-8-14(9-7-12)21(24,25)26/h1,4-9,13H,2-3,10-11H2
InChIKeyKBVLLUAYHSDMLO-UHFFFAOYSA-N
MW437.37 g/mol
LogP5.05
Rot. Bonds3

About (2,6-difluorophenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

(2,6-difluorophenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 121069158) has the molecular formula C21H16F5N3O2 and a molecular weight of 437.37 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID121069158
Molecular FormulaC21H16F5N3O2
Molecular Weight437.37 g/mol
Exact Mass437.12
IUPAC Name(2,6-difluorophenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCCC(c2nnc(-c3ccc(C(F)(F)F)cc3)o2)C1
InChIInChI=1S/C21H16F5N3O2/c22-15-4-1-5-16(23)17(15)20(30)29-10-2-3-13(11-29)19-28-27-18(31-19)12-6-8-14(9-7-12)21(24,25)26/h1,4-9,13H,2-3,10-11H2
InChIKeyKBVLLUAYHSDMLO-UHFFFAOYSA-N
XLogP5.05
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.37
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-difluorophenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540125
(2-iodophenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 121069157
quinolin-2-yl-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 121069125
5-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyran-2-one
CID 121069271
(4-methylthiadiazol-5-yl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 121069233
1,3-benzothiazol-2-yl-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 121069240
3-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]chromen-2-one
CID 121069268
N-(4-tert-butylphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 121069721
2-(4-fluorophenyl)sulfanyl-1-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 121069241
(4-piperidin-1-ylsulfonylphenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 121069206
(2-chloro-6-fluorophenyl)-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114608
[(3R)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 99963540

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 121069158) is (2,6-difluorophenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is O=C(c1c(F)cccc1F)N1CCCC(c2nnc(-c3ccc(C(F)(F)F)cc3)o2)C1.
What is the InChIKey of (2,6-difluorophenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is KBVLLUAYHSDMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F5N3O2/c22-15-4-1-5-16(23)17(15)20(30)29-10-2-3-13(11-29)19-28-27-18(31-19)12-6-8-14(9-7-12)21(24,25)26/h1,4-9,13H,2-3,10-11H2.
What are the key properties of (2,6-difluorophenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
(2,6-difluorophenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 437.37 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 121069158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).