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

C14H8F3N3O — CID 850834

IUPAC2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C14H8F3N3O/c15-14(16,17)11-3-1-9(2-4-11)12-19-20-13(21-12)10-5-7-18-8-6-10/h1-8H
InChIKeyMPESBTMXUYKDJO-UHFFFAOYSA-N
MW291.23 g/mol
LogP3.82
Rot. Bonds2

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

2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 850834) has the molecular formula C14H8F3N3O and a molecular weight of 291.23 g/mol. Its IUPAC name is 2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
PubChem CID850834
Molecular FormulaC14H8F3N3O
Molecular Weight291.23 g/mol
Exact Mass291.06
IUPAC Name2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(-c2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C14H8F3N3O/c15-14(16,17)11-3-1-9(2-4-11)12-19-20-13(21-12)10-5-7-18-8-6-10/h1-8H
InChIKeyMPESBTMXUYKDJO-UHFFFAOYSA-N
XLogP3.82
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850624
2-pyridin-4-yl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-oxadiazole
CID 17421438
2-(4-methylthiadiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 2814093
2-(2,2-dimethylpropyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 91525485
3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzaldehyde
CID 21105734
2-phenylselanyl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 141487087
4-[4-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]pyridine
CID 169293640
2-(2-phenylethynyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 45142353
2-(1-bromopropyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 62854380
2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 872987
2-(2-methylpyrimidin-5-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 99962892
ethyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxylate
CID 2815834

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CID 850834) is 2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is FC(F)(F)c1ccc(-c2nnc(-c3ccncc3)o2)cc1.
What is the InChIKey of 2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is MPESBTMXUYKDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O/c15-14(16,17)11-3-1-9(2-4-11)12-19-20-13(21-12)10-5-7-18-8-6-10/h1-8H.
What are the key properties of 2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 291.23 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 850834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).