2-(difluoromethyl)-5-[3-fluoro-4-[[4-[3-[(1R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]phenyl]triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole

C23H20F3N7O — CID 162443203

IUPAC2-(difluoromethyl)-5-[3-fluoro-4-[[4-[3-[(1R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]phenyl]triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESCN1C[C@@H]2C1CN2c1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3F)nn2)c1
InChIInChI=1S/C23H20F3N7O/c1-31-11-20-19(31)12-33(20)16-4-2-3-13(7-16)18-10-32(30-27-18)9-15-6-5-14(8-17(15)24)22-28-29-23(34-22)21(25)26/h2-8,10,19-21H,9,11-12H2,1H3/t19?,20-/m1/s1
InChIKeyJBJYCTINWDSDAW-GFOWMXPYSA-N
MW467.46 g/mol
LogP3.62
Rot. Bonds6

About 2-(difluoromethyl)-5-[3-fluoro-4-[[4-[3-[(1R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]phenyl]triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[3-fluoro-4-[[4-[3-[(1R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]phenyl]triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 162443203) has the molecular formula C23H20F3N7O and a molecular weight of 467.46 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[3-fluoro-4-[[4-[3-[(1R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]phenyl]triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[3-fluoro-4-[[4-[3-[(1R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]phenyl]triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
PubChem CID162443203
Molecular FormulaC23H20F3N7O
Molecular Weight467.46 g/mol
Exact Mass467.17
IUPAC Name2-(difluoromethyl)-5-[3-fluoro-4-[[4-[3-[(1R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]phenyl]triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESCN1C[C@@H]2C1CN2c1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3F)nn2)c1
InChIInChI=1S/C23H20F3N7O/c1-31-11-20-19(31)12-33(20)16-4-2-3-13(7-16)18-10-32(30-27-18)9-15-6-5-14(8-17(15)24)22-28-29-23(34-22)21(25)26/h2-8,10,19-21H,9,11-12H2,1H3/t19?,20-/m1/s1
InChIKeyJBJYCTINWDSDAW-GFOWMXPYSA-N
XLogP3.62
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(difluoromethyl)-5-[3-fluoro-4-[[4-[3-[(1R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]phenyl]triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(difluoromethyl)-5-[4-[[4-[3-[(1R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]phenyl]triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162443660
2-[4-[[4-[3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]triazol-1-yl]methyl]-3-fluorophenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 162767353
2-(difluoromethyl)-5-[3-fluoro-4-[[4-(3-methylphenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 170102368
tert-butyl (2R,6S)-4-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]triazol-4-yl]phenyl]-2,6-dimethylpiperazine-1-carboxylate
CID 162767379
2-(difluoromethyl)-5-[4-[[4-[3-[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]phenyl]triazol-1-yl]methyl]-3-fluorophenyl]-1,3,4-oxadiazole
CID 162443428
5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162722077
tert-butyl N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]triazol-4-yl]phenyl]carbamate
CID 162767393
2-[4-[[4-(5-bromo-3-pyridinyl)triazol-1-yl]methyl]-3-fluorophenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 162443169
2-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]triazol-4-yl]-1-methylthiirene-1-carbonitrile
CID 162443571
2-(difluoromethyl)-5-[4-[[4-[2-(1-ethylazetidin-3-yl)-3,4-dihydro-1H-isoquinolin-6-yl]triazol-1-yl]methyl]-3-fluorophenyl]-1,3,4-oxadiazole
CID 162443097
2-(difluoromethyl)-5-[3-fluoro-4-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162443303
2-(difluoromethyl)-5-[3-fluoro-4-[[4-[2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-yl]triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162443371

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[3-fluoro-4-[[4-[3-[(1R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]phenyl]triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[3-fluoro-4-[[4-[3-[(1R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]phenyl]triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole (CID 162443203) is 2-(difluoromethyl)-5-[3-fluoro-4-[[4-[3-[(1R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]phenyl]triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[3-fluoro-4-[[4-[3-[(1R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]phenyl]triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[3-fluoro-4-[[4-[3-[(1R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]phenyl]triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole is CN1C[C@@H]2C1CN2c1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3F)nn2)c1.
What is the InChIKey of 2-(difluoromethyl)-5-[3-fluoro-4-[[4-[3-[(1R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]phenyl]triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is JBJYCTINWDSDAW-GFOWMXPYSA-N. The full InChI is InChI=1S/C23H20F3N7O/c1-31-11-20-19(31)12-33(20)16-4-2-3-13(7-16)18-10-32(30-27-18)9-15-6-5-14(8-17(15)24)22-28-29-23(34-22)21(25)26/h2-8,10,19-21H,9,11-12H2,1H3/t19?,20-/m1/s1.
What are the key properties of 2-(difluoromethyl)-5-[3-fluoro-4-[[4-[3-[(1R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]phenyl]triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[3-fluoro-4-[[4-[3-[(1R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]phenyl]triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 467.46 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[3-fluoro-4-[[4-[3-[(1R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]phenyl]triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162443203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).