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

C8H9N3O — CID 174586320

IUPAC2-(1-imidazol-1-ylethyl)-1,3-oxazole
SMILESCC(c1ncco1)n1ccnc1
InChIInChI=1S/C8H9N3O/c1-7(8-10-3-5-12-8)11-4-2-9-6-11/h2-7H,1H3
InChIKeyXQMFNXXBLZJMHF-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.48
Rot. Bonds2

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

2-(1-imidazol-1-ylethyl)-1,3-oxazole (PubChem CID 174586320) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-(1-imidazol-1-ylethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(1-imidazol-1-ylethyl)-1,3-oxazole
PubChem CID174586320
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name2-(1-imidazol-1-ylethyl)-1,3-oxazole
SMILESCC(c1ncco1)n1ccnc1
InChIInChI=1S/C8H9N3O/c1-7(8-10-3-5-12-8)11-4-2-9-6-11/h2-7H,1H3
InChIKeyXQMFNXXBLZJMHF-UHFFFAOYSA-N
XLogP1.48
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-imidazol-1-ylethyl)-1,3-oxazole?
The IUPAC name of 2-(1-imidazol-1-ylethyl)-1,3-oxazole (CID 174586320) is 2-(1-imidazol-1-ylethyl)-1,3-oxazole.
What is the SMILES notation for 2-(1-imidazol-1-ylethyl)-1,3-oxazole?
The canonical SMILES for 2-(1-imidazol-1-ylethyl)-1,3-oxazole is CC(c1ncco1)n1ccnc1.
What is the InChIKey of 2-(1-imidazol-1-ylethyl)-1,3-oxazole?
The InChIKey is XQMFNXXBLZJMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-7(8-10-3-5-12-8)11-4-2-9-6-11/h2-7H,1H3.
What are the key properties of 2-(1-imidazol-1-ylethyl)-1,3-oxazole?
2-(1-imidazol-1-ylethyl)-1,3-oxazole has a molecular weight of 163.18 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-imidazol-1-ylethyl)-1,3-oxazole is sourced from PubChem (CID 174586320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).