2-(difluoromethyl)-5-[3-fluoro-4-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole

C19H12F3N7O — CID 162443303

IUPAC2-(difluoromethyl)-5-[3-fluoro-4-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESFc1cc(-c2nnc(C(F)F)o2)ccc1Cn1cc(-c2cccc3[nH]ncc23)nn1
InChIInChI=1S/C19H12F3N7O/c20-14-6-10(18-26-27-19(30-18)17(21)22)4-5-11(14)8-29-9-16(25-28-29)12-2-1-3-15-13(12)7-23-24-15/h1-7,9,17H,8H2,(H,23,24)
InChIKeyIEIYBCLHYNRGKB-UHFFFAOYSA-N
MW411.35 g/mol
LogP4.00
Rot. Bonds5

About 2-(difluoromethyl)-5-[3-fluoro-4-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[3-fluoro-4-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 162443303) has the molecular formula C19H12F3N7O and a molecular weight of 411.35 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[3-fluoro-4-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[3-fluoro-4-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
PubChem CID162443303
Molecular FormulaC19H12F3N7O
Molecular Weight411.35 g/mol
Exact Mass411.11
IUPAC Name2-(difluoromethyl)-5-[3-fluoro-4-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESFc1cc(-c2nnc(C(F)F)o2)ccc1Cn1cc(-c2cccc3[nH]ncc23)nn1
InChIInChI=1S/C19H12F3N7O/c20-14-6-10(18-26-27-19(30-18)17(21)22)4-5-11(14)8-29-9-16(25-28-29)12-2-1-3-15-13(12)7-23-24-15/h1-7,9,17H,8H2,(H,23,24)
InChIKeyIEIYBCLHYNRGKB-UHFFFAOYSA-N
XLogP4.00
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(difluoromethyl)-5-[3-fluoro-4-[[4-(3-methylphenyl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 170102368
5-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162722077
2-[4-[[4-(5-bromo-3-pyridinyl)triazol-1-yl]methyl]-3-fluorophenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 162443169
2-(difluoromethyl)-5-[3-fluoro-4-[[4-(1,3-thiazol-2-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162443207
2-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]triazol-4-yl]-1-methylthiirene-1-carbonitrile
CID 162443571
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-[(1R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]phenyl]triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162443203
3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]triazol-4-yl]oxetan-3-ol
CID 162443480
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-(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
2-(difluoromethyl)-5-[3-fluoro-4-[[4-[5-[(3-fluoropyrrolidin-1-yl)methyl]thiophen-2-yl]triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
CID 162442901
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

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[3-fluoro-4-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[3-fluoro-4-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole (CID 162443303) is 2-(difluoromethyl)-5-[3-fluoro-4-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[3-fluoro-4-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[3-fluoro-4-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole is Fc1cc(-c2nnc(C(F)F)o2)ccc1Cn1cc(-c2cccc3[nH]ncc23)nn1.
What is the InChIKey of 2-(difluoromethyl)-5-[3-fluoro-4-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is IEIYBCLHYNRGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N7O/c20-14-6-10(18-26-27-19(30-18)17(21)22)4-5-11(14)8-29-9-16(25-28-29)12-2-1-3-15-13(12)7-23-24-15/h1-7,9,17H,8H2,(H,23,24).
What are the key properties of 2-(difluoromethyl)-5-[3-fluoro-4-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[3-fluoro-4-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 411.35 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[3-fluoro-4-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162443303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).