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

C14H7ClF3N3O — CID 154868597

IUPAC2-(2-chlorophenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cncc(-c2nnc(-c3ccccc3Cl)o2)c1
InChIInChI=1S/C14H7ClF3N3O/c15-11-4-2-1-3-10(11)13-21-20-12(22-13)8-5-9(7-19-6-8)14(16,17)18/h1-7H
InChIKeyMALMPEKCDZUONP-UHFFFAOYSA-N
MW325.68 g/mol
LogP4.47
Rot. Bonds2

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

2-(2-chlorophenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 154868597) has the molecular formula C14H7ClF3N3O and a molecular weight of 325.68 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID154868597
Molecular FormulaC14H7ClF3N3O
Molecular Weight325.68 g/mol
Exact Mass325.02
IUPAC Name2-(2-chlorophenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cncc(-c2nnc(-c3ccccc3Cl)o2)c1
InChIInChI=1S/C14H7ClF3N3O/c15-11-4-2-1-3-10(11)13-21-20-12(22-13)8-5-9(7-19-6-8)14(16,17)18/h1-7H
InChIKeyMALMPEKCDZUONP-UHFFFAOYSA-N
XLogP4.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.68
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
2-(4-bromophenyl)-5-(2-chlorophenyl)-1,3,4-oxadiazole
CID 687082
2-(2-chlorophenyl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazole
CID 24684675
5-(2-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391322
2-(2-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 781502
2-[5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 104786517
2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850624
2-[8-chloro-6-(1,1-difluoroethyl)imidazo[1,2-a]pyridin-2-yl]-5-(2-chlorophenyl)-1,3,4-oxadiazole
CID 70881207
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 1476279
2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 81437606
2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850834
3-(3-methylphenyl)-5-(trifluoromethyl)pyridine
CID 59578611

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole (CID 154868597) is 2-(2-chlorophenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole is FC(F)(F)c1cncc(-c2nnc(-c3ccccc3Cl)o2)c1.
What is the InChIKey of 2-(2-chlorophenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is MALMPEKCDZUONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF3N3O/c15-11-4-2-1-3-10(11)13-21-20-12(22-13)8-5-9(7-19-6-8)14(16,17)18/h1-7H.
What are the key properties of 2-(2-chlorophenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 325.68 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 154868597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).