2-(3-methoxy-1,2-oxazol-5-yl)-5-methyl-7H-imidazo[1,2-a]imidazole-6-carbaldehyde

C11H10N4O3 — CID 82384679

IUPAC2-(3-methoxy-1,2-oxazol-5-yl)-5-methyl-7H-imidazo[1,2-a]imidazole-6-carbaldehyde
SMILESCOc1cc(-c2cn3c(C)c(C=O)[nH]c3n2)on1
InChIInChI=1S/C11H10N4O3/c1-6-8(5-16)13-11-12-7(4-15(6)11)9-3-10(17-2)14-18-9/h3-5H,1-2H3,(H,12,13)
InChIKeyMMDQWNLVGIIJOO-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.45
Rot. Bonds3

About 2-(3-methoxy-1,2-oxazol-5-yl)-5-methyl-7H-imidazo[1,2-a]imidazole-6-carbaldehyde

2-(3-methoxy-1,2-oxazol-5-yl)-5-methyl-7H-imidazo[1,2-a]imidazole-6-carbaldehyde (PubChem CID 82384679) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-(3-methoxy-1,2-oxazol-5-yl)-5-methyl-7H-imidazo[1,2-a]imidazole-6-carbaldehyde.

Molecular Properties

Compound Name2-(3-methoxy-1,2-oxazol-5-yl)-5-methyl-7H-imidazo[1,2-a]imidazole-6-carbaldehyde
PubChem CID82384679
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name2-(3-methoxy-1,2-oxazol-5-yl)-5-methyl-7H-imidazo[1,2-a]imidazole-6-carbaldehyde
SMILESCOc1cc(-c2cn3c(C)c(C=O)[nH]c3n2)on1
InChIInChI=1S/C11H10N4O3/c1-6-8(5-16)13-11-12-7(4-15(6)11)9-3-10(17-2)14-18-9/h3-5H,1-2H3,(H,12,13)
InChIKeyMMDQWNLVGIIJOO-UHFFFAOYSA-N
XLogP1.45
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-1,2-oxazol-5-yl)-5-methyl-7H-imidazo[1,2-a]imidazole-6-carbaldehyde?
The IUPAC name of 2-(3-methoxy-1,2-oxazol-5-yl)-5-methyl-7H-imidazo[1,2-a]imidazole-6-carbaldehyde (CID 82384679) is 2-(3-methoxy-1,2-oxazol-5-yl)-5-methyl-7H-imidazo[1,2-a]imidazole-6-carbaldehyde.
What is the SMILES notation for 2-(3-methoxy-1,2-oxazol-5-yl)-5-methyl-7H-imidazo[1,2-a]imidazole-6-carbaldehyde?
The canonical SMILES for 2-(3-methoxy-1,2-oxazol-5-yl)-5-methyl-7H-imidazo[1,2-a]imidazole-6-carbaldehyde is COc1cc(-c2cn3c(C)c(C=O)[nH]c3n2)on1.
What is the InChIKey of 2-(3-methoxy-1,2-oxazol-5-yl)-5-methyl-7H-imidazo[1,2-a]imidazole-6-carbaldehyde?
The InChIKey is MMDQWNLVGIIJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-6-8(5-16)13-11-12-7(4-15(6)11)9-3-10(17-2)14-18-9/h3-5H,1-2H3,(H,12,13).
What are the key properties of 2-(3-methoxy-1,2-oxazol-5-yl)-5-methyl-7H-imidazo[1,2-a]imidazole-6-carbaldehyde?
2-(3-methoxy-1,2-oxazol-5-yl)-5-methyl-7H-imidazo[1,2-a]imidazole-6-carbaldehyde has a molecular weight of 246.23 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-1,2-oxazol-5-yl)-5-methyl-7H-imidazo[1,2-a]imidazole-6-carbaldehyde is sourced from PubChem (CID 82384679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).