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

C14H7ClF3N3O2 — CID 2727190

IUPAC5-(2-chlorophenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccccc2Cl)nn1-c1ncccc1C(F)(F)F
InChIInChI=1S/C14H7ClF3N3O2/c15-10-6-2-1-4-8(10)12-20-21(13(22)23-12)11-9(14(16,17)18)5-3-7-19-11/h1-7H
InChIKeyULEQLSHQZQRAHM-UHFFFAOYSA-N
MW341.68 g/mol
LogP3.56
Rot. Bonds2

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

5-(2-chlorophenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one (PubChem CID 2727190) has the molecular formula C14H7ClF3N3O2 and a molecular weight of 341.68 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one
PubChem CID2727190
Molecular FormulaC14H7ClF3N3O2
Molecular Weight341.68 g/mol
Exact Mass341.02
IUPAC Name5-(2-chlorophenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccccc2Cl)nn1-c1ncccc1C(F)(F)F
InChIInChI=1S/C14H7ClF3N3O2/c15-10-6-2-1-4-8(10)12-20-21(13(22)23-12)11-9(14(16,17)18)5-3-7-19-11/h1-7H
InChIKeyULEQLSHQZQRAHM-UHFFFAOYSA-N
XLogP3.56
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.68
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(2-chlorophenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one (CID 2727190) is 5-(2-chlorophenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(2-chlorophenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(2-chlorophenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one is O=c1oc(-c2ccccc2Cl)nn1-c1ncccc1C(F)(F)F.
What is the InChIKey of 5-(2-chlorophenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one?
The InChIKey is ULEQLSHQZQRAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF3N3O2/c15-10-6-2-1-4-8(10)12-20-21(13(22)23-12)11-9(14(16,17)18)5-3-7-19-11/h1-7H.
What are the key properties of 5-(2-chlorophenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one?
5-(2-chlorophenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one has a molecular weight of 341.68 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-[3-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 2727190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).