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

C18H14N4O2 — CID 68997579

IUPAC[3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(-c2ccccc2C=Cc2n[nH]c3ccccc23)no1
InChIInChI=1S/C18H14N4O2/c23-11-17-19-18(22-24-17)13-6-2-1-5-12(13)9-10-16-14-7-3-4-8-15(14)20-21-16/h1-10,23H,11H2,(H,20,21)
InChIKeyIXTPWZNPEWCXSQ-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.28
Rot. Bonds4

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

[3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 68997579) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is [3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1,2,4-oxadiazol-5-yl]methanol
PubChem CID68997579
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name[3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(-c2ccccc2C=Cc2n[nH]c3ccccc23)no1
InChIInChI=1S/C18H14N4O2/c23-11-17-19-18(22-24-17)13-6-2-1-5-12(13)9-10-16-14-7-3-4-8-15(14)20-21-16/h1-10,23H,11H2,(H,20,21)
InChIKeyIXTPWZNPEWCXSQ-UHFFFAOYSA-N
XLogP3.28
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1,2,4-oxadiazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-2,5-dihydro-1,2,4-oxadiazole
CID 151806136
2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenoxy]ethanol
CID 69004426
2-[5-(hydroxymethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 137002934
N'-hydroxy-2-[(E)-2-(1H-indazol-3-yl)ethenyl]benzenecarboximidamide
CID 173127897
2-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione
CID 69004495
4-[2-(1H-indazol-3-yl)ethenyl]-1,2-oxazole
CID 67417108
7-[2-(1H-indazol-3-yl)ethenyl]-2-(thiophen-2-ylmethyl)-1,3-benzoxazole
CID 69001468
(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63947643
3-(aminomethyl)-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pentan-3-ol
CID 68999808
2-[2-(1H-indazol-3-yl)ethenyl]-N-phenylbenzamide
CID 68996590
3-[(E)-2-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethenyl]-1H-indazole
CID 69377551
4-hydroxy-2-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]isoindole-1,3-dione
CID 69002352

Frequently Asked Questions

What is the IUPAC name of [3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1,2,4-oxadiazol-5-yl]methanol (CID 68997579) is [3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1,2,4-oxadiazol-5-yl]methanol is OCc1nc(-c2ccccc2C=Cc2n[nH]c3ccccc23)no1.
What is the InChIKey of [3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is IXTPWZNPEWCXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-11-17-19-18(22-24-17)13-6-2-1-5-12(13)9-10-16-14-7-3-4-8-15(14)20-21-16/h1-10,23H,11H2,(H,20,21).
What are the key properties of [3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1,2,4-oxadiazol-5-yl]methanol?
[3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 318.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 68997579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).