4-[2-(1H-imidazol-5-yl)ethenyl]-1,2-oxazole

C8H7N3O — CID 67416750

IUPAC4-[2-(1H-imidazol-5-yl)ethenyl]-1,2-oxazole
SMILESC(=Cc1cnc[nH]1)c1cnoc1
InChIInChI=1S/C8H7N3O/c1(7-3-11-12-5-7)2-8-4-9-6-10-8/h1-6H,(H,9,10)
InChIKeySEPVYRQGNKMYTL-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.57
Rot. Bonds2

About 4-[2-(1H-imidazol-5-yl)ethenyl]-1,2-oxazole

4-[2-(1H-imidazol-5-yl)ethenyl]-1,2-oxazole (PubChem CID 67416750) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 4-[2-(1H-imidazol-5-yl)ethenyl]-1,2-oxazole.

Molecular Properties

Compound Name4-[2-(1H-imidazol-5-yl)ethenyl]-1,2-oxazole
PubChem CID67416750
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name4-[2-(1H-imidazol-5-yl)ethenyl]-1,2-oxazole
SMILESC(=Cc1cnc[nH]1)c1cnoc1
InChIInChI=1S/C8H7N3O/c1(7-3-11-12-5-7)2-8-4-9-6-10-8/h1-6H,(H,9,10)
InChIKeySEPVYRQGNKMYTL-UHFFFAOYSA-N
XLogP1.57
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-imidazol-5-yl)ethenyl]-1,2-oxazole?
The IUPAC name of 4-[2-(1H-imidazol-5-yl)ethenyl]-1,2-oxazole (CID 67416750) is 4-[2-(1H-imidazol-5-yl)ethenyl]-1,2-oxazole.
What is the SMILES notation for 4-[2-(1H-imidazol-5-yl)ethenyl]-1,2-oxazole?
The canonical SMILES for 4-[2-(1H-imidazol-5-yl)ethenyl]-1,2-oxazole is C(=Cc1cnc[nH]1)c1cnoc1.
What is the InChIKey of 4-[2-(1H-imidazol-5-yl)ethenyl]-1,2-oxazole?
The InChIKey is SEPVYRQGNKMYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1(7-3-11-12-5-7)2-8-4-9-6-10-8/h1-6H,(H,9,10).
What are the key properties of 4-[2-(1H-imidazol-5-yl)ethenyl]-1,2-oxazole?
4-[2-(1H-imidazol-5-yl)ethenyl]-1,2-oxazole has a molecular weight of 161.16 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-imidazol-5-yl)ethenyl]-1,2-oxazole is sourced from PubChem (CID 67416750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).