5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-3-carbohydrazide

C14H12N2O5 — CID 63569817

IUPAC5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(COc2ccc3c(c2)OCC3=O)c1
InChIInChI=1S/C14H12N2O5/c15-16-14(18)8-3-10(19-5-8)6-20-9-1-2-11-12(17)7-21-13(11)4-9/h1-5H,6-7,15H2,(H,16,18)
InChIKeyLTJRZUUOHSBQRZ-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.04
Rot. Bonds4

About 5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-3-carbohydrazide

5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-3-carbohydrazide (PubChem CID 63569817) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-3-carbohydrazide
PubChem CID63569817
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(COc2ccc3c(c2)OCC3=O)c1
InChIInChI=1S/C14H12N2O5/c15-16-14(18)8-3-10(19-5-8)6-20-9-1-2-11-12(17)7-21-13(11)4-9/h1-5H,6-7,15H2,(H,16,18)
InChIKeyLTJRZUUOHSBQRZ-UHFFFAOYSA-N
XLogP1.04
TPSA103.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide
CID 60772542
5-[(3-bromo-4-fluorophenoxy)methyl]furan-3-carbohydrazide
CID 83234772
5-[(3-fluoro-4-methylphenoxy)methyl]furan-3-carbohydrazide
CID 107171042
5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-2-carboxylic acid
CID 43516994
5-[(3-methylphenoxy)methyl]furan-3-carbohydrazide
CID 63576172
ethyl 3-[(3-oxo-1-benzofuran-6-yl)oxy]propanoate
CID 43516984
3-[(3-oxo-1-benzofuran-6-yl)oxy]propanoic acid
CID 16776711
6-[(4-ethylphenyl)methoxy]-1-benzofuran-3-one
CID 63097467
2-[(3-oxo-1-benzofuran-6-yl)oxy]-N-propan-2-ylacetamide
CID 60772248
6-(3-methyl-2-oxobutoxy)-1-benzofuran-3-one
CID 79395503
6-[2-(1,3-dioxan-2-yl)ethoxy]-1-benzofuran-3-one
CID 66474358
6-(2-oxopentoxy)-1-benzofuran-3-one
CID 62042964

Frequently Asked Questions

What is the IUPAC name of 5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-3-carbohydrazide (CID 63569817) is 5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-3-carbohydrazide is NNC(=O)c1coc(COc2ccc3c(c2)OCC3=O)c1.
What is the InChIKey of 5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-3-carbohydrazide?
The InChIKey is LTJRZUUOHSBQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c15-16-14(18)8-3-10(19-5-8)6-20-9-1-2-11-12(17)7-21-13(11)4-9/h1-5H,6-7,15H2,(H,16,18).
What are the key properties of 5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-3-carbohydrazide?
5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-3-carbohydrazide has a molecular weight of 288.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-oxo-1-benzofuran-6-yl)oxymethyl]furan-3-carbohydrazide is sourced from PubChem (CID 63569817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).