5-aminofuro[2,3-d][1,3]oxazole-2-carbaldehyde

C6H4N2O3 — CID 96635869

IUPAC5-aminofuro[2,3-d][1,3]oxazole-2-carbaldehyde
SMILESNc1cc2oc(C=O)nc2o1
InChIInChI=1S/C6H4N2O3/c7-4-1-3-6(11-4)8-5(2-9)10-3/h1-2H,7H2
InChIKeyIDROBSBEDNLVPE-UHFFFAOYSA-N
MW152.11 g/mol
LogP0.82
Rot. Bonds1

About 5-aminofuro[2,3-d][1,3]oxazole-2-carbaldehyde

5-aminofuro[2,3-d][1,3]oxazole-2-carbaldehyde (PubChem CID 96635869) has the molecular formula C6H4N2O3 and a molecular weight of 152.11 g/mol. Its IUPAC name is 5-aminofuro[2,3-d][1,3]oxazole-2-carbaldehyde.

Molecular Properties

Compound Name5-aminofuro[2,3-d][1,3]oxazole-2-carbaldehyde
PubChem CID96635869
Molecular FormulaC6H4N2O3
Molecular Weight152.11 g/mol
Exact Mass152.02
IUPAC Name5-aminofuro[2,3-d][1,3]oxazole-2-carbaldehyde
SMILESNc1cc2oc(C=O)nc2o1
InChIInChI=1S/C6H4N2O3/c7-4-1-3-6(11-4)8-5(2-9)10-3/h1-2H,7H2
InChIKeyIDROBSBEDNLVPE-UHFFFAOYSA-N
XLogP0.82
TPSA82.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-aminofuro[2,3-d][1,3]oxazole-2-carbaldehyde?
The IUPAC name of 5-aminofuro[2,3-d][1,3]oxazole-2-carbaldehyde (CID 96635869) is 5-aminofuro[2,3-d][1,3]oxazole-2-carbaldehyde.
What is the SMILES notation for 5-aminofuro[2,3-d][1,3]oxazole-2-carbaldehyde?
The canonical SMILES for 5-aminofuro[2,3-d][1,3]oxazole-2-carbaldehyde is Nc1cc2oc(C=O)nc2o1.
What is the InChIKey of 5-aminofuro[2,3-d][1,3]oxazole-2-carbaldehyde?
The InChIKey is IDROBSBEDNLVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O3/c7-4-1-3-6(11-4)8-5(2-9)10-3/h1-2H,7H2.
What are the key properties of 5-aminofuro[2,3-d][1,3]oxazole-2-carbaldehyde?
5-aminofuro[2,3-d][1,3]oxazole-2-carbaldehyde has a molecular weight of 152.11 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminofuro[2,3-d][1,3]oxazole-2-carbaldehyde is sourced from PubChem (CID 96635869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).