1,2-dimethylimidazole;2-methyl-1,3-oxazole

C9H13N3O — CID 159130346

IUPAC1,2-dimethylimidazole;2-methyl-1,3-oxazole
SMILESCc1nccn1C.Cc1ncco1
InChIInChI=1S/C5H8N2.C4H5NO/c1-5-6-3-4-7(5)2;1-4-5-2-3-6-4/h3-4H,1-2H3;2-3H,1H3
InChIKeyKGURRMYIXHQRQL-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.71
Rot. Bonds

About 1,2-dimethylimidazole;2-methyl-1,3-oxazole

1,2-dimethylimidazole;2-methyl-1,3-oxazole (PubChem CID 159130346) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1,2-dimethylimidazole;2-methyl-1,3-oxazole.

Molecular Properties

Compound Name1,2-dimethylimidazole;2-methyl-1,3-oxazole
PubChem CID159130346
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1,2-dimethylimidazole;2-methyl-1,3-oxazole
SMILESCc1nccn1C.Cc1ncco1
InChIInChI=1S/C5H8N2.C4H5NO/c1-5-6-3-4-7(5)2;1-4-5-2-3-6-4/h3-4H,1-2H3;2-3H,1H3
InChIKeyKGURRMYIXHQRQL-UHFFFAOYSA-N
XLogP1.71
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole;2-methyl-1,3-oxazole?
The IUPAC name of 1,2-dimethylimidazole;2-methyl-1,3-oxazole (CID 159130346) is 1,2-dimethylimidazole;2-methyl-1,3-oxazole.
What is the SMILES notation for 1,2-dimethylimidazole;2-methyl-1,3-oxazole?
The canonical SMILES for 1,2-dimethylimidazole;2-methyl-1,3-oxazole is Cc1nccn1C.Cc1ncco1.
What is the InChIKey of 1,2-dimethylimidazole;2-methyl-1,3-oxazole?
The InChIKey is KGURRMYIXHQRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C4H5NO/c1-5-6-3-4-7(5)2;1-4-5-2-3-6-4/h3-4H,1-2H3;2-3H,1H3.
What are the key properties of 1,2-dimethylimidazole;2-methyl-1,3-oxazole?
1,2-dimethylimidazole;2-methyl-1,3-oxazole has a molecular weight of 179.22 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylimidazole;2-methyl-1,3-oxazole is sourced from PubChem (CID 159130346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).