3-[2-(1H-imidazol-2-yl)ethyl]-1,2-oxazole

C8H9N3O — CID 91208566

IUPAC3-[2-(1H-imidazol-2-yl)ethyl]-1,2-oxazole
SMILESc1c[nH]c(CCc2ccon2)n1
InChIInChI=1S/C8H9N3O/c1(7-3-6-12-11-7)2-8-9-4-5-10-8/h3-6H,1-2H2,(H,9,10)
InChIKeyVSASEARXIJVWBU-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.18
Rot. Bonds3

About 3-[2-(1H-imidazol-2-yl)ethyl]-1,2-oxazole

3-[2-(1H-imidazol-2-yl)ethyl]-1,2-oxazole (PubChem CID 91208566) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-[2-(1H-imidazol-2-yl)ethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-(1H-imidazol-2-yl)ethyl]-1,2-oxazole
PubChem CID91208566
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name3-[2-(1H-imidazol-2-yl)ethyl]-1,2-oxazole
SMILESc1c[nH]c(CCc2ccon2)n1
InChIInChI=1S/C8H9N3O/c1(7-3-6-12-11-7)2-8-9-4-5-10-8/h3-6H,1-2H2,(H,9,10)
InChIKeyVSASEARXIJVWBU-UHFFFAOYSA-N
XLogP1.18
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-(1H-imidazol-2-yl)ethyl]formamide
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2-dodecyl-1H-imidazole
CID 22019838
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2-octyl-1H-imidazole
CID 18347297
2-decyl-1H-imidazole
CID 3089145
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CID 54221067
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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-imidazol-2-yl)ethyl]-1,2-oxazole?
The IUPAC name of 3-[2-(1H-imidazol-2-yl)ethyl]-1,2-oxazole (CID 91208566) is 3-[2-(1H-imidazol-2-yl)ethyl]-1,2-oxazole.
What is the SMILES notation for 3-[2-(1H-imidazol-2-yl)ethyl]-1,2-oxazole?
The canonical SMILES for 3-[2-(1H-imidazol-2-yl)ethyl]-1,2-oxazole is c1c[nH]c(CCc2ccon2)n1.
What is the InChIKey of 3-[2-(1H-imidazol-2-yl)ethyl]-1,2-oxazole?
The InChIKey is VSASEARXIJVWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1(7-3-6-12-11-7)2-8-9-4-5-10-8/h3-6H,1-2H2,(H,9,10).
What are the key properties of 3-[2-(1H-imidazol-2-yl)ethyl]-1,2-oxazole?
3-[2-(1H-imidazol-2-yl)ethyl]-1,2-oxazole has a molecular weight of 163.18 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-imidazol-2-yl)ethyl]-1,2-oxazole is sourced from PubChem (CID 91208566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).