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

C14H9F3N4O — CID 68741283

IUPAC2-[2-methyl-5-(trifluoromethyl)-3-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCc1ncc(C(F)(F)F)cc1-c1nnc(-c2cccnc2)o1
InChIInChI=1S/C14H9F3N4O/c1-8-11(5-10(7-19-8)14(15,16)17)13-21-20-12(22-13)9-3-2-4-18-6-9/h2-7H,1H3
InChIKeyNXZUIANQHYWGIM-UHFFFAOYSA-N
MW306.25 g/mol
LogP3.52
Rot. Bonds2

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

2-[2-methyl-5-(trifluoromethyl)-3-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 68741283) has the molecular formula C14H9F3N4O and a molecular weight of 306.25 g/mol. Its IUPAC name is 2-[2-methyl-5-(trifluoromethyl)-3-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-methyl-5-(trifluoromethyl)-3-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID68741283
Molecular FormulaC14H9F3N4O
Molecular Weight306.25 g/mol
Exact Mass306.07
IUPAC Name2-[2-methyl-5-(trifluoromethyl)-3-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCc1ncc(C(F)(F)F)cc1-c1nnc(-c2cccnc2)o1
InChIInChI=1S/C14H9F3N4O/c1-8-11(5-10(7-19-8)14(15,16)17)13-21-20-12(22-13)9-3-2-4-18-6-9/h2-7H,1H3
InChIKeyNXZUIANQHYWGIM-UHFFFAOYSA-N
XLogP3.52
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Pyridyl)-5-(4-tolyl)-1,3,4-oxadiazole
CID 853396
2,5-Bis(4-pyridyl)-1,3,4-oxadiazole
CID 699787
Dimethyl-[4-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-phenyl]-amine
CID 865622
1-Piperidin-1-yl-2-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CID 1071908
3-[5-(3-Phenyl-allylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 1581526
3-[5-(Prop-2-en-1-ylsulfanyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 4920344
2-[(4-Fluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 1155333
3-[5-(4-Methyl-benzylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 3135481
3-{5-[4-(Trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}pyridine
CID 850835
2,5-Bis(3-pyridyl)-1,3,4-oxadiazole
CID 98903
2-[(2-Fluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 1155332
CID 9549551
CID 9549551

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-(trifluoromethyl)-3-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-methyl-5-(trifluoromethyl)-3-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 68741283) is 2-[2-methyl-5-(trifluoromethyl)-3-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-methyl-5-(trifluoromethyl)-3-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-methyl-5-(trifluoromethyl)-3-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole is Cc1ncc(C(F)(F)F)cc1-c1nnc(-c2cccnc2)o1.
What is the InChIKey of 2-[2-methyl-5-(trifluoromethyl)-3-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is NXZUIANQHYWGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O/c1-8-11(5-10(7-19-8)14(15,16)17)13-21-20-12(22-13)9-3-2-4-18-6-9/h2-7H,1H3.
What are the key properties of 2-[2-methyl-5-(trifluoromethyl)-3-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[2-methyl-5-(trifluoromethyl)-3-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 306.25 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-(trifluoromethyl)-3-pyridinyl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 68741283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).