2,5-dimethyl-1,3-oxazole-4-carbaldehyde;methane

C7H11NO2 — CID 159060279

IUPAC2,5-dimethyl-1,3-oxazole-4-carbaldehyde;methane
SMILESC.Cc1nc(C=O)c(C)o1
InChIInChI=1S/C6H7NO2.CH4/c1-4-6(3-8)7-5(2)9-4;/h3H,1-2H3;1H4
InChIKeyJYJLPIFLCGJACV-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.74
Rot. Bonds1

About 2,5-dimethyl-1,3-oxazole-4-carbaldehyde;methane

2,5-dimethyl-1,3-oxazole-4-carbaldehyde;methane (PubChem CID 159060279) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-oxazole-4-carbaldehyde;methane.

Molecular Properties

Compound Name2,5-dimethyl-1,3-oxazole-4-carbaldehyde;methane
PubChem CID159060279
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2,5-dimethyl-1,3-oxazole-4-carbaldehyde;methane
SMILESC.Cc1nc(C=O)c(C)o1
InChIInChI=1S/C6H7NO2.CH4/c1-4-6(3-8)7-5(2)9-4;/h3H,1-2H3;1H4
InChIKeyJYJLPIFLCGJACV-UHFFFAOYSA-N
XLogP1.74
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3-oxazole-4-carbaldehyde;methane?
The IUPAC name of 2,5-dimethyl-1,3-oxazole-4-carbaldehyde;methane (CID 159060279) is 2,5-dimethyl-1,3-oxazole-4-carbaldehyde;methane.
What is the SMILES notation for 2,5-dimethyl-1,3-oxazole-4-carbaldehyde;methane?
The canonical SMILES for 2,5-dimethyl-1,3-oxazole-4-carbaldehyde;methane is C.Cc1nc(C=O)c(C)o1.
What is the InChIKey of 2,5-dimethyl-1,3-oxazole-4-carbaldehyde;methane?
The InChIKey is JYJLPIFLCGJACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.CH4/c1-4-6(3-8)7-5(2)9-4;/h3H,1-2H3;1H4.
What are the key properties of 2,5-dimethyl-1,3-oxazole-4-carbaldehyde;methane?
2,5-dimethyl-1,3-oxazole-4-carbaldehyde;methane has a molecular weight of 141.17 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-oxazole-4-carbaldehyde;methane is sourced from PubChem (CID 159060279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).