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

C6H7NO2 — CID 14920525

IUPAC4,5-dimethyl-1,3-oxazole-2-carbaldehyde
SMILESCc1nc(C=O)oc1C
InChIInChI=1S/C6H7NO2/c1-4-5(2)9-6(3-8)7-4/h3H,1-2H3
InChIKeyXHEMOUHXSVJUJF-UHFFFAOYSA-N
MW125.13 g/mol
LogP1.10
Rot. Bonds1

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

4,5-dimethyl-1,3-oxazole-2-carbaldehyde (PubChem CID 14920525) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 4,5-dimethyl-1,3-oxazole-2-carbaldehyde.

Molecular Properties

Compound Name4,5-dimethyl-1,3-oxazole-2-carbaldehyde
PubChem CID14920525
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name4,5-dimethyl-1,3-oxazole-2-carbaldehyde
SMILESCc1nc(C=O)oc1C
InChIInChI=1S/C6H7NO2/c1-4-5(2)9-6(3-8)7-4/h3H,1-2H3
InChIKeyXHEMOUHXSVJUJF-UHFFFAOYSA-N
XLogP1.10
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 51.10
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 4,5-dimethyl-1,3-oxazole-2-carbaldehyde?
The IUPAC name of 4,5-dimethyl-1,3-oxazole-2-carbaldehyde (CID 14920525) is 4,5-dimethyl-1,3-oxazole-2-carbaldehyde.
What is the SMILES notation for 4,5-dimethyl-1,3-oxazole-2-carbaldehyde?
The canonical SMILES for 4,5-dimethyl-1,3-oxazole-2-carbaldehyde is Cc1nc(C=O)oc1C.
What is the InChIKey of 4,5-dimethyl-1,3-oxazole-2-carbaldehyde?
The InChIKey is XHEMOUHXSVJUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-4-5(2)9-6(3-8)7-4/h3H,1-2H3.
What are the key properties of 4,5-dimethyl-1,3-oxazole-2-carbaldehyde?
4,5-dimethyl-1,3-oxazole-2-carbaldehyde has a molecular weight of 125.13 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,3-oxazole-2-carbaldehyde is sourced from PubChem (CID 14920525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).