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

C17H14N4O — CID 151806136

IUPAC3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-2,5-dihydro-1,2,4-oxadiazole
SMILESC(=Cc1n[nH]c2ccccc12)c1ccccc1C1=NCON1
InChIInChI=1S/C17H14N4O/c1-2-6-13(17-18-11-22-21-17)12(5-1)9-10-16-14-7-3-4-8-15(14)19-20-16/h1-10H,11H2,(H,18,21)(H,19,20)
InChIKeyRZQJODYACSTYNH-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.97
Rot. Bonds3

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

3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 151806136) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-2,5-dihydro-1,2,4-oxadiazole
PubChem CID151806136
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-2,5-dihydro-1,2,4-oxadiazole
SMILESC(=Cc1n[nH]c2ccccc12)c1ccccc1C1=NCON1
InChIInChI=1S/C17H14N4O/c1-2-6-13(17-18-11-22-21-17)12(5-1)9-10-16-14-7-3-4-8-15(14)19-20-16/h1-10H,11H2,(H,18,21)(H,19,20)
InChIKeyRZQJODYACSTYNH-UHFFFAOYSA-N
XLogP2.97
TPSA62.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-methylphenyl)ethenyl]-1H-indazole
CID 69049104
2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione
CID 69004495
[3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1,2,4-oxadiazol-5-yl]methanol
CID 68997579
N'-hydroxy-2-[(E)-2-(1H-indazol-3-yl)ethenyl]benzenecarboximidamide
CID 173127897
2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-3H-isoindol-1-one
CID 69001737
ethane;fluoromethane;3-[(E)-2-phenylethenyl]-1H-indazole
CID 142995649
3-[(E)-2-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethenyl]-1H-indazole
CID 69377551
2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenoxy]ethanol
CID 69004426
3,4-dichloro-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pyrrole-2,5-dione
CID 69004356
N-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]benzenesulfonamide
CID 69002102
2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide
CID 68996590
4-[2-(1H-indazol-3-yl)ethenyl]-1,2-oxazole
CID 67417108

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-2,5-dihydro-1,2,4-oxadiazole (CID 151806136) is 3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-2,5-dihydro-1,2,4-oxadiazole is C(=Cc1n[nH]c2ccccc12)c1ccccc1C1=NCON1.
What is the InChIKey of 3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is RZQJODYACSTYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-2-6-13(17-18-11-22-21-17)12(5-1)9-10-16-14-7-3-4-8-15(14)19-20-16/h1-10H,11H2,(H,18,21)(H,19,20).
What are the key properties of 3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-2,5-dihydro-1,2,4-oxadiazole?
3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 290.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 151806136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).