5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methylpyridin-3-amine

C17H14F2N8O — CID 162722282

IUPAC5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methylpyridin-3-amine
SMILESCc1ncc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)cc1N
InChIInChI=1S/C17H14F2N8O/c1-9-13(20)6-12(7-21-9)15-22-26-27(25-15)8-10-2-4-11(5-3-10)16-23-24-17(28-16)14(18)19/h2-7,14H,8,20H2,1H3
InChIKeyIZMVOLJROOZHJI-UHFFFAOYSA-N
MW384.35 g/mol
LogP2.66
Rot. Bonds5

About 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methylpyridin-3-amine

5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methylpyridin-3-amine (PubChem CID 162722282) has the molecular formula C17H14F2N8O and a molecular weight of 384.35 g/mol. Its IUPAC name is 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methylpyridin-3-amine.

Molecular Properties

Compound Name5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methylpyridin-3-amine
PubChem CID162722282
Molecular FormulaC17H14F2N8O
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC Name5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methylpyridin-3-amine
SMILESCc1ncc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)cc1N
InChIInChI=1S/C17H14F2N8O/c1-9-13(20)6-12(7-21-9)15-22-26-27(25-15)8-10-2-4-11(5-3-10)16-23-24-17(28-16)14(18)19/h2-7,14H,8,20H2,1H3
InChIKeyIZMVOLJROOZHJI-UHFFFAOYSA-N
XLogP2.66
TPSA121.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 137636886
2-(Difluoromethyl)-5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]-1,3,4-oxadiazole
CID 155712024
3-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]aniline
CID 162443482
5-(1-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)-2,3-difluorobenzyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162721884
5-[1-[[2-Chloro-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162721900
3-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]aniline
CID 162721923
N-[(3R)-3-[4-(6-amino-3-pyridinyl)triazol-1-yl]-3-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]propyl]methanesulfonamide
CID 162721924
2-(difluoromethyl)-5-(4-((5-(4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)phenyl)-2H-tetrazol-2-yl)methyl)phenyl)-1,3,4-oxadiazole
CID 162721928
N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]phenyl]acetamide
CID 162721933
3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]-N-ethylaniline
CID 162721943
2-(4-(6-aminopyridin-3-yl)-1H-1,2,3-triazol-1-yl)-2-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)phenyl)ethan-1-ol
CID 162721944
3-[1-[[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]aniline
CID 162721958

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methylpyridin-3-amine?
The IUPAC name of 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methylpyridin-3-amine (CID 162722282) is 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methylpyridin-3-amine.
What is the SMILES notation for 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methylpyridin-3-amine?
The canonical SMILES for 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methylpyridin-3-amine is Cc1ncc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)cc1N.
What is the InChIKey of 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methylpyridin-3-amine?
The InChIKey is IZMVOLJROOZHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N8O/c1-9-13(20)6-12(7-21-9)15-22-26-27(25-15)8-10-2-4-11(5-3-10)16-23-24-17(28-16)14(18)19/h2-7,14H,8,20H2,1H3.
What are the key properties of 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methylpyridin-3-amine?
5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methylpyridin-3-amine has a molecular weight of 384.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methylpyridin-3-amine is sourced from PubChem (CID 162722282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).