2-(imidazol-1-yloxymethyl)-1,3-oxazole

C7H7N3O2 — CID 18172065

IUPAC2-(imidazol-1-yloxymethyl)-1,3-oxazole
SMILESc1cn(OCc2ncco2)cn1
InChIInChI=1S/C7H7N3O2/c1-3-10(6-8-1)12-5-7-9-2-4-11-7/h1-4,6H,5H2
InChIKeyIFZKWWJSIZSUCQ-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.50
Rot. Bonds3

About 2-(imidazol-1-yloxymethyl)-1,3-oxazole

2-(imidazol-1-yloxymethyl)-1,3-oxazole (PubChem CID 18172065) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 2-(imidazol-1-yloxymethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(imidazol-1-yloxymethyl)-1,3-oxazole
PubChem CID18172065
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name2-(imidazol-1-yloxymethyl)-1,3-oxazole
SMILESc1cn(OCc2ncco2)cn1
InChIInChI=1S/C7H7N3O2/c1-3-10(6-8-1)12-5-7-9-2-4-11-7/h1-4,6H,5H2
InChIKeyIFZKWWJSIZSUCQ-UHFFFAOYSA-N
XLogP0.50
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazol-1-yloxymethyl)-1,3-oxazole?
The IUPAC name of 2-(imidazol-1-yloxymethyl)-1,3-oxazole (CID 18172065) is 2-(imidazol-1-yloxymethyl)-1,3-oxazole.
What is the SMILES notation for 2-(imidazol-1-yloxymethyl)-1,3-oxazole?
The canonical SMILES for 2-(imidazol-1-yloxymethyl)-1,3-oxazole is c1cn(OCc2ncco2)cn1.
What is the InChIKey of 2-(imidazol-1-yloxymethyl)-1,3-oxazole?
The InChIKey is IFZKWWJSIZSUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-3-10(6-8-1)12-5-7-9-2-4-11-7/h1-4,6H,5H2.
What are the key properties of 2-(imidazol-1-yloxymethyl)-1,3-oxazole?
2-(imidazol-1-yloxymethyl)-1,3-oxazole has a molecular weight of 165.15 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazol-1-yloxymethyl)-1,3-oxazole is sourced from PubChem (CID 18172065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).