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

C19H16F2N8O2 — CID 162722721

IUPACN-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methyl-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)cnc1C
InChIInChI=1S/C19H16F2N8O2/c1-10-15(23-11(2)30)7-14(8-22-10)17-24-28-29(27-17)9-12-3-5-13(6-4-12)18-25-26-19(31-18)16(20)21/h3-8,16H,9H2,1-2H3,(H,23,30)
InChIKeyLKCJWFNRBPGTIO-UHFFFAOYSA-N
MW426.39 g/mol
LogP3.04
Rot. Bonds6

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

N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methyl-3-pyridinyl]acetamide (PubChem CID 162722721) has the molecular formula C19H16F2N8O2 and a molecular weight of 426.39 g/mol. Its IUPAC name is N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methyl-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methyl-3-pyridinyl]acetamide
PubChem CID162722721
Molecular FormulaC19H16F2N8O2
Molecular Weight426.39 g/mol
Exact Mass426.14
IUPAC NameN-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methyl-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)cnc1C
InChIInChI=1S/C19H16F2N8O2/c1-10-15(23-11(2)30)7-14(8-22-10)17-24-28-29(27-17)9-12-3-5-13(6-4-12)18-25-26-19(31-18)16(20)21/h3-8,16H,9H2,1-2H3,(H,23,30)
InChIKeyLKCJWFNRBPGTIO-UHFFFAOYSA-N
XLogP3.04
TPSA124.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

US10464911, Example 31
CID 126507518
N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 137636886
US10464911, Example 27
CID 126508360
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
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
1-[4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]phenyl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 162721993

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methyl-3-pyridinyl]acetamide?
The IUPAC name of N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methyl-3-pyridinyl]acetamide (CID 162722721) is N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methyl-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methyl-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methyl-3-pyridinyl]acetamide is CC(=O)Nc1cc(-c2nnn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)n2)cnc1C.
What is the InChIKey of N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methyl-3-pyridinyl]acetamide?
The InChIKey is LKCJWFNRBPGTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N8O2/c1-10-15(23-11(2)30)7-14(8-22-10)17-24-28-29(27-17)9-12-3-5-13(6-4-12)18-25-26-19(31-18)16(20)21/h3-8,16H,9H2,1-2H3,(H,23,30).
What are the key properties of N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methyl-3-pyridinyl]acetamide?
N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methyl-3-pyridinyl]acetamide has a molecular weight of 426.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]tetrazol-5-yl]-2-methyl-3-pyridinyl]acetamide is sourced from PubChem (CID 162722721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).