4-benzyl-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one

C15H10F3N3O2 — CID 59570364

IUPAC4-benzyl-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2cc(C(F)(F)F)ccn2)n1Cc1ccccc1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)11-6-7-19-12(8-11)13-20-23-14(22)21(13)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyQOZHRCAYZUQIGK-UHFFFAOYSA-N
MW321.26 g/mol
LogP2.97
Rot. Bonds3

About 4-benzyl-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one

4-benzyl-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one (PubChem CID 59570364) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 4-benzyl-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-benzyl-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one
PubChem CID59570364
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name4-benzyl-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2cc(C(F)(F)F)ccn2)n1Cc1ccccc1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)11-6-7-19-12(8-11)13-20-23-14(22)21(13)9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyQOZHRCAYZUQIGK-UHFFFAOYSA-N
XLogP2.97
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-benzyl-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one (CID 59570364) is 4-benzyl-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-benzyl-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-benzyl-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one is O=c1onc(-c2cc(C(F)(F)F)ccn2)n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one?
The InChIKey is QOZHRCAYZUQIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c16-15(17,18)11-6-7-19-12(8-11)13-20-23-14(22)21(13)9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 4-benzyl-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one?
4-benzyl-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one has a molecular weight of 321.26 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 59570364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).