2-(difluoromethyl)-5-[2-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole

C17H11F3N6O — CID 162511001

IUPAC2-(difluoromethyl)-5-[2-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole
SMILESFc1cccc(Cc2ncnn2-c2cc(-c3nnc(C(F)F)o3)ccn2)c1
InChIInChI=1S/C17H11F3N6O/c18-12-3-1-2-10(6-12)7-13-22-9-23-26(13)14-8-11(4-5-21-14)16-24-25-17(27-16)15(19)20/h1-6,8-9,15H,7H2
InChIKeyKJTPXNQNFHPTGI-UHFFFAOYSA-N
MW372.31 g/mol
LogP3.38
Rot. Bonds5

About 2-(difluoromethyl)-5-[2-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[2-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole (PubChem CID 162511001) has the molecular formula C17H11F3N6O and a molecular weight of 372.31 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[2-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[2-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole
PubChem CID162511001
Molecular FormulaC17H11F3N6O
Molecular Weight372.31 g/mol
Exact Mass372.09
IUPAC Name2-(difluoromethyl)-5-[2-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole
SMILESFc1cccc(Cc2ncnn2-c2cc(-c3nnc(C(F)F)o3)ccn2)c1
InChIInChI=1S/C17H11F3N6O/c18-12-3-1-2-10(6-12)7-13-22-9-23-26(13)14-8-11(4-5-21-14)16-24-25-17(27-16)15(19)20/h1-6,8-9,15H,7H2
InChIKeyKJTPXNQNFHPTGI-UHFFFAOYSA-N
XLogP3.38
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(5-{[(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine
CID 17408143
2-(2-Benzylpyrazolo[1,5-a]pyrimidin-6-yl-5-(difluoromethyl)-1,3,4-oxadiazole
CID 156507539
2-(Difluoromethyl)-5-[4-[[5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722132
5-(1-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)benzyl)-1H-pyrazol-4-yl)pyridin-2-amine
CID 162722219
5-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridin-2-amine
CID 162722266
5-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]pyridin-2-amine
CID 162722346
5-(5-((4-(5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl)phenyl)difluoromethyl)-1,2,4-oxadiazol-3-yl)pyridin-2-amine
CID 162722383
2-(Difluoromethyl)-5-[4-[(5-pyrimidin-2-yltetrazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole
CID 162722442
5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-ethylpyridin-2-amine
CID 162722468
2-(difluoromethyl)-5-(4-((5-(6-(piperazin-1-yl)pyridin-3-yl)-2H-tetrazol-2-yl)methyl)phenyl)-1,3,4-oxadiazole
CID 162722479
5-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyrimidin-2-amine
CID 162722655
2-Amino-5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridine-3-carboxamide
CID 162722801

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[2-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[2-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole (CID 162511001) is 2-(difluoromethyl)-5-[2-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[2-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[2-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole is Fc1cccc(Cc2ncnn2-c2cc(-c3nnc(C(F)F)o3)ccn2)c1.
What is the InChIKey of 2-(difluoromethyl)-5-[2-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is KJTPXNQNFHPTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N6O/c18-12-3-1-2-10(6-12)7-13-22-9-23-26(13)14-8-11(4-5-21-14)16-24-25-17(27-16)15(19)20/h1-6,8-9,15H,7H2.
What are the key properties of 2-(difluoromethyl)-5-[2-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[2-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 372.31 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[2-[5-[(3-fluorophenyl)methyl]-1,2,4-triazol-1-yl]-4-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162511001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).