3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]benzamide

C17H12F2N8O2 — CID 162722549

IUPAC3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]benzamide
SMILESNC(=O)c1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)n2)c1
InChIInChI=1S/C17H12F2N8O2/c18-13(19)17-24-23-16(29-17)11-4-5-12(21-7-11)8-27-25-15(22-26-27)10-3-1-2-9(6-10)14(20)28/h1-7,13H,8H2,(H2,20,28)
InChIKeyKAUWETYFUYLCMO-UHFFFAOYSA-N
MW398.33 g/mol
LogP1.87
Rot. Bonds6

About 3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]benzamide

3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]benzamide (PubChem CID 162722549) has the molecular formula C17H12F2N8O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is 3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]benzamide.

Molecular Properties

Compound Name3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]benzamide
PubChem CID162722549
Molecular FormulaC17H12F2N8O2
Molecular Weight398.33 g/mol
Exact Mass398.11
IUPAC Name3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]benzamide
SMILESNC(=O)c1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)n2)c1
InChIInChI=1S/C17H12F2N8O2/c18-13(19)17-24-23-16(29-17)11-4-5-12(21-7-11)8-27-25-15(22-26-27)10-3-1-2-9(6-10)14(20)28/h1-7,13H,8H2,(H2,20,28)
InChIKeyKAUWETYFUYLCMO-UHFFFAOYSA-N
XLogP1.87
TPSA138.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]benzamide with MolForge

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Related Compounds

5-[1-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162721876
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162721935
5-(1-(1-(5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)ethyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162722116
2-(difluoromethyl)-5-[6-[[5-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)phenyl]tetrazol-2-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162722127
7'-(2-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-2H-tetrazol-5-yl)-1',4'-dihydro-3'H-spiro[cyclopentane-1,2'-quinoxalin]-3'-one
CID 162722200
5-(5-(4-(5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl)benzyl)-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 162722250
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]phenyl]methyl]tetrazol-5-yl]-2-methylpyridin-3-amine
CID 162722282
6-[1-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyrazol-4-yl]-2,3-dihydroisoindol-1-one
CID 162722369
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-pyrazol-4-yl)pyridin-2-amine
CID 162722416
5-[2-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]pyridin-3-amine
CID 162722473
5-[3-[2-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]phenyl]-1,3-thiazol-2-amine
CID 162722481

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]benzamide?
The IUPAC name of 3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]benzamide (CID 162722549) is 3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]benzamide.
What is the SMILES notation for 3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]benzamide?
The canonical SMILES for 3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]benzamide is NC(=O)c1cccc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)n2)c1.
What is the InChIKey of 3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]benzamide?
The InChIKey is KAUWETYFUYLCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N8O2/c18-13(19)17-24-23-16(29-17)11-4-5-12(21-7-11)8-27-25-15(22-26-27)10-3-1-2-9(6-10)14(20)28/h1-7,13H,8H2,(H2,20,28).
What are the key properties of 3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]benzamide?
3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]benzamide has a molecular weight of 398.33 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]tetrazol-5-yl]benzamide is sourced from PubChem (CID 162722549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).