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

C10H5NO4 — CID 82396986

IUPAC2-(furan-2-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde
SMILESO=Cc1occ2nc(-c3ccco3)oc12
InChIInChI=1S/C10H5NO4/c12-4-8-9-6(5-14-8)11-10(15-9)7-2-1-3-13-7/h1-5H
InChIKeyBDFOLSNFRUVOAY-UHFFFAOYSA-N
MW203.15 g/mol
LogP2.49
Rot. Bonds2

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

2-(furan-2-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde (PubChem CID 82396986) has the molecular formula C10H5NO4 and a molecular weight of 203.15 g/mol. Its IUPAC name is 2-(furan-2-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde.

Molecular Properties

Compound Name2-(furan-2-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde
PubChem CID82396986
Molecular FormulaC10H5NO4
Molecular Weight203.15 g/mol
Exact Mass203.02
IUPAC Name2-(furan-2-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde
SMILESO=Cc1occ2nc(-c3ccco3)oc12
InChIInChI=1S/C10H5NO4/c12-4-8-9-6(5-14-8)11-10(15-9)7-2-1-3-13-7/h1-5H
InChIKeyBDFOLSNFRUVOAY-UHFFFAOYSA-N
XLogP2.49
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-5-fluoro-2-(furan-2-yl)-1,3-benzoxazole
CID 82095537
7-bromo-2-(furan-2-yl)-5-propan-2-yl-1,3-benzoxazole
CID 82095609
2-(furan-2-yl)-1,3-benzoxazol-6-amine
CID 43117917
2-cyclopentylfuro[3,4-d][1,3]oxazole-6-carbaldehyde
CID 82396380
2-(furan-2-yl)-4,5-diphenyl-1,3-oxazole
CID 71740870
4-(furan-2-yl)-1,2,5-oxadiazole-3-carbaldehyde
CID 96633688
[2-(furan-2-yl)-1,3-benzoxazol-6-yl]methanamine
CID 82357432
4-(furan-2-yl)pyridine-3-carbaldehyde
CID 96630721
1-[2-(furan-2-yl)-1,3-oxazol-4-yl]ethanone
CID 115083525
2-(furan-2-yl)pyrido[2,3-d][1,3]oxazin-4-one
CID 10130578
[2-(furan-2-yl)-1,3-oxazol-4-yl]methanol
CID 115083510
N,N-diethyl-2-(furan-2-yl)-1,3-benzoxazole-6-carboxamide
CID 171115267

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde?
The IUPAC name of 2-(furan-2-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde (CID 82396986) is 2-(furan-2-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde.
What is the SMILES notation for 2-(furan-2-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde?
The canonical SMILES for 2-(furan-2-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde is O=Cc1occ2nc(-c3ccco3)oc12.
What is the InChIKey of 2-(furan-2-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde?
The InChIKey is BDFOLSNFRUVOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5NO4/c12-4-8-9-6(5-14-8)11-10(15-9)7-2-1-3-13-7/h1-5H.
What are the key properties of 2-(furan-2-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde?
2-(furan-2-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde has a molecular weight of 203.15 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)furo[3,4-d][1,3]oxazole-6-carbaldehyde is sourced from PubChem (CID 82396986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).