5-(2,6-difluorophenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one

C14H6F5N3O2 — CID 631217

IUPAC5-(2,6-difluorophenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2c(F)cccc2F)nn1-c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C14H6F5N3O2/c15-8-2-1-3-9(16)11(8)12-21-22(13(23)24-12)10-6-7(4-5-20-10)14(17,18)19/h1-6H
InChIKeyZXQGVEYXJVIRLK-UHFFFAOYSA-N
MW343.21 g/mol
LogP3.18
Rot. Bonds2

About 5-(2,6-difluorophenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one

5-(2,6-difluorophenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one (PubChem CID 631217) has the molecular formula C14H6F5N3O2 and a molecular weight of 343.21 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one
PubChem CID631217
Molecular FormulaC14H6F5N3O2
Molecular Weight343.21 g/mol
Exact Mass343.04
IUPAC Name5-(2,6-difluorophenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2c(F)cccc2F)nn1-c1cc(C(F)(F)F)ccn1
InChIInChI=1S/C14H6F5N3O2/c15-8-2-1-3-9(16)11(8)12-21-22(13(23)24-12)10-6-7(4-5-20-10)14(17,18)19/h1-6H
InChIKeyZXQGVEYXJVIRLK-UHFFFAOYSA-N
XLogP3.18
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(2,6-difluorophenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one (CID 631217) is 5-(2,6-difluorophenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(2,6-difluorophenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(2,6-difluorophenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one is O=c1oc(-c2c(F)cccc2F)nn1-c1cc(C(F)(F)F)ccn1.
What is the InChIKey of 5-(2,6-difluorophenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one?
The InChIKey is ZXQGVEYXJVIRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F5N3O2/c15-8-2-1-3-9(16)11(8)12-21-22(13(23)24-12)10-6-7(4-5-20-10)14(17,18)19/h1-6H.
What are the key properties of 5-(2,6-difluorophenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one?
5-(2,6-difluorophenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one has a molecular weight of 343.21 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-3-[4-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 631217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).