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

C14H8F3N3O2 — CID 2727267

IUPAC4-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccccc2C(F)(F)F)n1-c1cccnc1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)11-6-2-1-5-10(11)12-19-22-13(21)20(12)9-4-3-7-18-8-9/h1-8H
InChIKeyVNRLBRZWUZQQNH-UHFFFAOYSA-N
MW307.23 g/mol
LogP2.91
Rot. Bonds2

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

4-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one (PubChem CID 2727267) has the molecular formula C14H8F3N3O2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 4-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one
PubChem CID2727267
Molecular FormulaC14H8F3N3O2
Molecular Weight307.23 g/mol
Exact Mass307.06
IUPAC Name4-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccccc2C(F)(F)F)n1-c1cccnc1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)11-6-2-1-5-10(11)12-19-22-13(21)20(12)9-4-3-7-18-8-9/h1-8H
InChIKeyVNRLBRZWUZQQNH-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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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one (CID 2727267) is 4-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one is O=c1onc(-c2ccccc2C(F)(F)F)n1-c1cccnc1.
What is the InChIKey of 4-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one?
The InChIKey is VNRLBRZWUZQQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2/c15-14(16,17)11-6-2-1-5-10(11)12-19-22-13(21)20(12)9-4-3-7-18-8-9/h1-8H.
What are the key properties of 4-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one?
4-pyridin-3-yl-3-[2-(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 4-pyridin-3-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 2727267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).