2-(difluoromethyl)-5-[4-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole

C19H13F2N7O — CID 162443289

IUPAC2-(difluoromethyl)-5-[4-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3cc(-c4ccc5cn[nH]c5c4)nn3)cc2)o1
InChIInChI=1S/C19H13F2N7O/c20-17(21)19-26-25-18(29-19)12-3-1-11(2-4-12)9-28-10-16(24-27-28)13-5-6-14-8-22-23-15(14)7-13/h1-8,10,17H,9H2,(H,22,23)
InChIKeySBVSHQCORGZQBG-UHFFFAOYSA-N
MW393.36 g/mol
LogP3.86
Rot. Bonds5

About 2-(difluoromethyl)-5-[4-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[4-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole (PubChem CID 162443289) has the molecular formula C19H13F2N7O and a molecular weight of 393.36 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[4-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[4-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
PubChem CID162443289
Molecular FormulaC19H13F2N7O
Molecular Weight393.36 g/mol
Exact Mass393.11
IUPAC Name2-(difluoromethyl)-5-[4-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3cc(-c4ccc5cn[nH]c5c4)nn3)cc2)o1
InChIInChI=1S/C19H13F2N7O/c20-17(21)19-26-25-18(29-19)12-3-1-11(2-4-12)9-28-10-16(24-27-28)13-5-6-14-8-22-23-15(14)7-13/h1-8,10,17H,9H2,(H,22,23)
InChIKeySBVSHQCORGZQBG-UHFFFAOYSA-N
XLogP3.86
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[4-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[4-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole (CID 162443289) is 2-(difluoromethyl)-5-[4-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[4-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[4-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(Cn3cc(-c4ccc5cn[nH]c5c4)nn3)cc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[4-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is SBVSHQCORGZQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N7O/c20-17(21)19-26-25-18(29-19)12-3-1-11(2-4-12)9-28-10-16(24-27-28)13-5-6-14-8-22-23-15(14)7-13/h1-8,10,17H,9H2,(H,22,23).
What are the key properties of 2-(difluoromethyl)-5-[4-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[4-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 393.36 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[4-[[4-(1H-indazol-6-yl)triazol-1-yl]methyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 162443289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).