5-methylimidazo[2,1-b][1,3]oxazole

C6H6N2O — CID 58303275

IUPAC5-methylimidazo[2,1-b][1,3]oxazole
SMILESCc1cnc2occn12
InChIInChI=1S/C6H6N2O/c1-5-4-7-6-8(5)2-3-9-6/h2-4H,1H3
InChIKeyRVHGLPXRCAIMKS-UHFFFAOYSA-N
MW122.13 g/mol
LogP1.24
Rot. Bonds

About 5-methylimidazo[2,1-b][1,3]oxazole

5-methylimidazo[2,1-b][1,3]oxazole (PubChem CID 58303275) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 5-methylimidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name5-methylimidazo[2,1-b][1,3]oxazole
PubChem CID58303275
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name5-methylimidazo[2,1-b][1,3]oxazole
SMILESCc1cnc2occn12
InChIInChI=1S/C6H6N2O/c1-5-4-7-6-8(5)2-3-9-6/h2-4H,1H3
InChIKeyRVHGLPXRCAIMKS-UHFFFAOYSA-N
XLogP1.24
TPSA30.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylimidazo[2,1-b][1,3]oxazole?
The IUPAC name of 5-methylimidazo[2,1-b][1,3]oxazole (CID 58303275) is 5-methylimidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 5-methylimidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 5-methylimidazo[2,1-b][1,3]oxazole is Cc1cnc2occn12.
What is the InChIKey of 5-methylimidazo[2,1-b][1,3]oxazole?
The InChIKey is RVHGLPXRCAIMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c1-5-4-7-6-8(5)2-3-9-6/h2-4H,1H3.
What are the key properties of 5-methylimidazo[2,1-b][1,3]oxazole?
5-methylimidazo[2,1-b][1,3]oxazole has a molecular weight of 122.13 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylimidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 58303275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).