2-(1H-indazol-5-yl)-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole

C18H13F3N4O — CID 68663359

IUPAC2-(1H-indazol-5-yl)-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cccc(CCc2nnc(-c3ccc4[nH]ncc4c3)o2)c1
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)14-3-1-2-11(8-14)4-7-16-24-25-17(26-16)12-5-6-15-13(9-12)10-22-23-15/h1-3,5-6,8-10H,4,7H2,(H,22,23)
InChIKeyMABHHLYCJJFCOR-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.42
Rot. Bonds4

About 2-(1H-indazol-5-yl)-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole

2-(1H-indazol-5-yl)-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole (PubChem CID 68663359) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 2-(1H-indazol-5-yl)-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1H-indazol-5-yl)-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole
PubChem CID68663359
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name2-(1H-indazol-5-yl)-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cccc(CCc2nnc(-c3ccc4[nH]ncc4c3)o2)c1
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)14-3-1-2-11(8-14)4-7-16-24-25-17(26-16)12-5-6-15-13(9-12)10-22-23-15/h1-3,5-6,8-10H,4,7H2,(H,22,23)
InChIKeyMABHHLYCJJFCOR-UHFFFAOYSA-N
XLogP4.42
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-5-yl)-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(1H-indazol-5-yl)-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole (CID 68663359) is 2-(1H-indazol-5-yl)-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1H-indazol-5-yl)-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(1H-indazol-5-yl)-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole is FC(F)(F)c1cccc(CCc2nnc(-c3ccc4[nH]ncc4c3)o2)c1.
What is the InChIKey of 2-(1H-indazol-5-yl)-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole?
The InChIKey is MABHHLYCJJFCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c19-18(20,21)14-3-1-2-11(8-14)4-7-16-24-25-17(26-16)12-5-6-15-13(9-12)10-22-23-15/h1-3,5-6,8-10H,4,7H2,(H,22,23).
What are the key properties of 2-(1H-indazol-5-yl)-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole?
2-(1H-indazol-5-yl)-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole has a molecular weight of 358.32 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-5-yl)-5-[2-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 68663359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).