4-[2-(1H-indazol-3-yl)ethenyl]-1,2-oxazole

C12H9N3O — CID 67417108

IUPAC4-[2-(1H-indazol-3-yl)ethenyl]-1,2-oxazole
SMILESC(=Cc1n[nH]c2ccccc12)c1cnoc1
InChIInChI=1S/C12H9N3O/c1-2-4-11-10(3-1)12(15-14-11)6-5-9-7-13-16-8-9/h1-8H,(H,14,15)
InChIKeyAWMNPRWDYRQBHM-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.72
Rot. Bonds2

About 4-[2-(1H-indazol-3-yl)ethenyl]-1,2-oxazole

4-[2-(1H-indazol-3-yl)ethenyl]-1,2-oxazole (PubChem CID 67417108) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-[2-(1H-indazol-3-yl)ethenyl]-1,2-oxazole.

Molecular Properties

Compound Name4-[2-(1H-indazol-3-yl)ethenyl]-1,2-oxazole
PubChem CID67417108
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name4-[2-(1H-indazol-3-yl)ethenyl]-1,2-oxazole
SMILESC(=Cc1n[nH]c2ccccc12)c1cnoc1
InChIInChI=1S/C12H9N3O/c1-2-4-11-10(3-1)12(15-14-11)6-5-9-7-13-16-8-9/h1-8H,(H,14,15)
InChIKeyAWMNPRWDYRQBHM-UHFFFAOYSA-N
XLogP2.72
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indazol-3-yl)ethenyl]-1,2-oxazole?
The IUPAC name of 4-[2-(1H-indazol-3-yl)ethenyl]-1,2-oxazole (CID 67417108) is 4-[2-(1H-indazol-3-yl)ethenyl]-1,2-oxazole.
What is the SMILES notation for 4-[2-(1H-indazol-3-yl)ethenyl]-1,2-oxazole?
The canonical SMILES for 4-[2-(1H-indazol-3-yl)ethenyl]-1,2-oxazole is C(=Cc1n[nH]c2ccccc12)c1cnoc1.
What is the InChIKey of 4-[2-(1H-indazol-3-yl)ethenyl]-1,2-oxazole?
The InChIKey is AWMNPRWDYRQBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c1-2-4-11-10(3-1)12(15-14-11)6-5-9-7-13-16-8-9/h1-8H,(H,14,15).
What are the key properties of 4-[2-(1H-indazol-3-yl)ethenyl]-1,2-oxazole?
4-[2-(1H-indazol-3-yl)ethenyl]-1,2-oxazole has a molecular weight of 211.22 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indazol-3-yl)ethenyl]-1,2-oxazole is sourced from PubChem (CID 67417108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).