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

C17H11F3N6O — CID 162722146

IUPAC2-(difluoromethyl)-5-[4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnn(Cc2ccc(-c3nnc(C(F)F)o3)cc2)n1
InChIInChI=1S/C17H11F3N6O/c18-13-4-2-1-3-12(13)15-21-25-26(24-15)9-10-5-7-11(8-6-10)16-22-23-17(27-16)14(19)20/h1-8,14H,9H2
InChIKeyOGINDPMNCMIFGE-UHFFFAOYSA-N
MW372.31 g/mol
LogP3.52
Rot. Bonds5

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

2-(difluoromethyl)-5-[4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 162722146) has the molecular formula C17H11F3N6O and a molecular weight of 372.31 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
PubChem CID162722146
Molecular FormulaC17H11F3N6O
Molecular Weight372.31 g/mol
Exact Mass372.09
IUPAC Name2-(difluoromethyl)-5-[4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnn(Cc2ccc(-c3nnc(C(F)F)o3)cc2)n1
InChIInChI=1S/C17H11F3N6O/c18-13-4-2-1-3-12(13)15-21-25-26(24-15)9-10-5-7-11(8-6-10)16-22-23-17(27-16)14(19)20/h1-8,14H,9H2
InChIKeyOGINDPMNCMIFGE-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,4-Di-[2-(5-phenyloxadiazolyl)]-benzol
CID 4352562
Methane, bis[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-
CID 595983
2-(4-Fluorophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 603014
[3-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 162721913
2-(Difluoromethyl)-5-[4-[[5-[4-(piperidin-1-ylmethyl)phenyl]tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162721981
3-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-ethylbenzamide
CID 162722008
4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-N-(1-methylpiperidin-4-yl)benzamide
CID 162722049
3-(2-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)benzyl)-2H-tetrazol-5-yl)benzamide
CID 162722055
2-(Difluoromethyl)-5-[4-[[5-(1-phenylcyclopropyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162722093
4-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2,3-dihydroinden-1-one
CID 162722186
3-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]tetrazol-5-yl]benzamide
CID 162722193
3-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]benzoic acid
CID 162722265

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole (CID 162722146) is 2-(difluoromethyl)-5-[4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole is Fc1ccccc1-c1nnn(Cc2ccc(-c3nnc(C(F)F)o3)cc2)n1.
What is the InChIKey of 2-(difluoromethyl)-5-[4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is OGINDPMNCMIFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N6O/c18-13-4-2-1-3-12(13)15-21-25-26(24-15)9-10-5-7-11(8-6-10)16-22-23-17(27-16)14(19)20/h1-8,14H,9H2.
What are the key properties of 2-(difluoromethyl)-5-[4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 372.31 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[4-[[5-(2-fluorophenyl)tetrazol-2-yl]methyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162722146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).