3-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one

C14H8F3N3O2 — CID 621926

IUPAC3-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2cccnc2)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)10-4-1-5-11(7-10)20-12(19-22-13(20)21)9-3-2-6-18-8-9/h1-8H
InChIKeyAKIGBSUGVHYQGW-UHFFFAOYSA-N
MW307.23 g/mol
LogP2.91
Rot. Bonds2

About 3-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one

3-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one (PubChem CID 621926) has the molecular formula C14H8F3N3O2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 3-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one
PubChem CID621926
Molecular FormulaC14H8F3N3O2
Molecular Weight307.23 g/mol
Exact Mass307.06
IUPAC Name3-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2cccnc2)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)10-4-1-5-11(7-10)20-12(19-22-13(20)21)9-3-2-6-18-8-9/h1-8H
InChIKeyAKIGBSUGVHYQGW-UHFFFAOYSA-N
XLogP2.91
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N'-hydroxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboximidamide
CID 2727254
4-(2-fluorophenyl)-3-(3-pyridinyl)-1,2,4-oxadiazol-5(4H)-one
CID 2727255
N-(3-pyridinylmethyl)-N'-[3-(trifluoromethyl)phenyl]urea
CID 5196927
Benzenamine, N-(3-pyridinylmethylene)-3-(trifluoromethyl)-
CID 142657
1,2,4-Oxadiazol-5(4H)-one, 3-[4-(trifluoromethyl)-3-pyridyl]-4-(2,4-dimethylphenyl)-]
CID 576457
1,2,4-Oxadiazol-5(4H)-one, 3-(2,6-difluorophenyl)-4-(3-pyridyl)-
CID 615858
Nicotinamidine, N-(alpha,alpha,alpha-trifluoro-m-tolyl)-
CID 211771
(E)-[(Pyridin-4-YL)methylidene]amino N-phenylcarbamate
CID 5722572
3-Pyridin-3-yl-4-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one
CID 2727256
4-[(4,4-Difluorocyclohexyl)methyl]-3-[(2-methylpyridin-3-yl)methyl]-1,2,4-oxadiazol-5-one
CID 135371017
N-hydroxy-N'-(2-(trifluoromethyl)phenyl)pyridine-3-carboximidamide
CID 550559
Isonicotinamidine, N-(alpha,alpha,alpha-trifluoro-m-tolyl)-
CID 32006

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one (CID 621926) is 3-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one is O=c1onc(-c2cccnc2)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one?
The InChIKey is AKIGBSUGVHYQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2/c15-14(16,17)10-4-1-5-11(7-10)20-12(19-22-13(20)21)9-3-2-6-18-8-9/h1-8H.
What are the key properties of 3-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one?
3-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one has a molecular weight of 307.23 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-4-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 621926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).