2-imidazol-1-yl-1,3-oxazole

C6H5N3O — CID 21418737

IUPAC2-imidazol-1-yl-1,3-oxazole
SMILESc1cn(-c2ncco2)cn1
InChIInChI=1S/C6H5N3O/c1-3-9(5-7-1)6-8-2-4-10-6/h1-5H
InChIKeyKOOFTMGGPVJFLI-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.86
Rot. Bonds1

About 2-imidazol-1-yl-1,3-oxazole

2-imidazol-1-yl-1,3-oxazole (PubChem CID 21418737) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 2-imidazol-1-yl-1,3-oxazole.

Molecular Properties

Compound Name2-imidazol-1-yl-1,3-oxazole
PubChem CID21418737
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name2-imidazol-1-yl-1,3-oxazole
SMILESc1cn(-c2ncco2)cn1
InChIInChI=1S/C6H5N3O/c1-3-9(5-7-1)6-8-2-4-10-6/h1-5H
InChIKeyKOOFTMGGPVJFLI-UHFFFAOYSA-N
XLogP0.86
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1,3-oxazole?
The IUPAC name of 2-imidazol-1-yl-1,3-oxazole (CID 21418737) is 2-imidazol-1-yl-1,3-oxazole.
What is the SMILES notation for 2-imidazol-1-yl-1,3-oxazole?
The canonical SMILES for 2-imidazol-1-yl-1,3-oxazole is c1cn(-c2ncco2)cn1.
What is the InChIKey of 2-imidazol-1-yl-1,3-oxazole?
The InChIKey is KOOFTMGGPVJFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c1-3-9(5-7-1)6-8-2-4-10-6/h1-5H.
What are the key properties of 2-imidazol-1-yl-1,3-oxazole?
2-imidazol-1-yl-1,3-oxazole has a molecular weight of 135.13 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1,3-oxazole is sourced from PubChem (CID 21418737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).