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

C15H7F6N3O2 — CID 2727173

IUPAC5-[3-(trifluoromethyl)phenyl]-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H7F6N3O2/c16-14(17,18)9-3-1-2-8(6-9)12-23-24(13(25)26-12)11-5-4-10(7-22-11)15(19,20)21/h1-7H
InChIKeyHHOHBYNQLQBZMJ-UHFFFAOYSA-N
MW375.23 g/mol
LogP3.93
Rot. Bonds2

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

5-[3-(trifluoromethyl)phenyl]-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one (PubChem CID 2727173) has the molecular formula C15H7F6N3O2 and a molecular weight of 375.23 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one
PubChem CID2727173
Molecular FormulaC15H7F6N3O2
Molecular Weight375.23 g/mol
Exact Mass375.04
IUPAC Name5-[3-(trifluoromethyl)phenyl]-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H7F6N3O2/c16-14(17,18)9-3-1-2-8(6-9)12-23-24(13(25)26-12)11-5-4-10(7-22-11)15(19,20)21/h1-7H
InChIKeyHHOHBYNQLQBZMJ-UHFFFAOYSA-N
XLogP3.93
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)phenyl]-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one (CID 2727173) is 5-[3-(trifluoromethyl)phenyl]-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one is O=c1oc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one?
The InChIKey is HHOHBYNQLQBZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F6N3O2/c16-14(17,18)9-3-1-2-8(6-9)12-23-24(13(25)26-12)11-5-4-10(7-22-11)15(19,20)21/h1-7H.
What are the key properties of 5-[3-(trifluoromethyl)phenyl]-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one?
5-[3-(trifluoromethyl)phenyl]-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one has a molecular weight of 375.23 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenyl]-3-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 2727173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).