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

C19H15F3N4O2 — CID 68664130

IUPAC2-(1H-indazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole
SMILESCOc1ccc(CCc2nnc(-c3ccc4[nH]ncc4c3)o2)cc1C(F)(F)F
InChIInChI=1S/C19H15F3N4O2/c1-27-16-6-2-11(8-14(16)19(20,21)22)3-7-17-25-26-18(28-17)12-4-5-15-13(9-12)10-23-24-15/h2,4-6,8-10H,3,7H2,1H3,(H,23,24)
InChIKeyHFXDBGVSRUAULX-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.43
Rot. Bonds5

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

2-(1H-indazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole (PubChem CID 68664130) has the molecular formula C19H15F3N4O2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 2-(1H-indazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1H-indazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole
PubChem CID68664130
Molecular FormulaC19H15F3N4O2
Molecular Weight388.35 g/mol
Exact Mass388.11
IUPAC Name2-(1H-indazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole
SMILESCOc1ccc(CCc2nnc(-c3ccc4[nH]ncc4c3)o2)cc1C(F)(F)F
InChIInChI=1S/C19H15F3N4O2/c1-27-16-6-2-11(8-14(16)19(20,21)22)3-7-17-25-26-18(28-17)12-4-5-15-13(9-12)10-23-24-15/h2,4-6,8-10H,3,7H2,1H3,(H,23,24)
InChIKeyHFXDBGVSRUAULX-UHFFFAOYSA-N
XLogP4.43
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

Oxadiazole derivative, 20p
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1'-(7-methyl-1H-indazole-5-carbonyl)-6-(5-methyl-1H-pyrazol-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884799
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N-[[3-(1H-indazol-7-yl)-1H-pyrazol-5-yl]methyl]-2-(trifluoromethoxy)benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(1H-indazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole (CID 68664130) is 2-(1H-indazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1H-indazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(1H-indazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole is COc1ccc(CCc2nnc(-c3ccc4[nH]ncc4c3)o2)cc1C(F)(F)F.
What is the InChIKey of 2-(1H-indazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole?
The InChIKey is HFXDBGVSRUAULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2/c1-27-16-6-2-11(8-14(16)19(20,21)22)3-7-17-25-26-18(28-17)12-4-5-15-13(9-12)10-23-24-15/h2,4-6,8-10H,3,7H2,1H3,(H,23,24).
What are the key properties of 2-(1H-indazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole?
2-(1H-indazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole has a molecular weight of 388.35 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-5-yl)-5-[2-[4-methoxy-3-(trifluoromethyl)phenyl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 68664130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).