2-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde

C11H8N2O4 — CID 82390482

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde
SMILESCc1noc(C)c1-c1nc2coc(C=O)c2o1
InChIInChI=1S/C11H8N2O4/c1-5-9(6(2)17-13-5)11-12-7-4-15-8(3-14)10(7)16-11/h3-4H,1-2H3
InChIKeyLYLPSNJMSUYSAX-UHFFFAOYSA-N
MW232.19 g/mol
LogP2.51
Rot. Bonds2

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde

2-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde (PubChem CID 82390482) has the molecular formula C11H8N2O4 and a molecular weight of 232.19 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde
PubChem CID82390482
Molecular FormulaC11H8N2O4
Molecular Weight232.19 g/mol
Exact Mass232.05
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde
SMILESCc1noc(C)c1-c1nc2coc(C=O)c2o1
InChIInChI=1S/C11H8N2O4/c1-5-9(6(2)17-13-5)11-12-7-4-15-8(3-14)10(7)16-11/h3-4H,1-2H3
InChIKeyLYLPSNJMSUYSAX-UHFFFAOYSA-N
XLogP2.51
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 52.51
H-Bond Donors ≤ 50
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-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde (CID 82390482) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde is Cc1noc(C)c1-c1nc2coc(C=O)c2o1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde?
The InChIKey is LYLPSNJMSUYSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c1-5-9(6(2)17-13-5)11-12-7-4-15-8(3-14)10(7)16-11/h3-4H,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde?
2-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde has a molecular weight of 232.19 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde is sourced from PubChem (CID 82390482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).