2-(oxolan-2-ylmethoxymethyl)-1-benzofuran-3-carbohydrazide

C15H18N2O4 — CID 63575257

IUPAC2-(oxolan-2-ylmethoxymethyl)-1-benzofuran-3-carbohydrazide
SMILESNNC(=O)c1c(COCC2CCCO2)oc2ccccc12
InChIInChI=1S/C15H18N2O4/c16-17-15(18)14-11-5-1-2-6-12(11)21-13(14)9-19-8-10-4-3-7-20-10/h1-2,5-6,10H,3-4,7-9,16H2,(H,17,18)
InChIKeyRTKAFFCWIPAWQP-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.73
Rot. Bonds5

About 2-(oxolan-2-ylmethoxymethyl)-1-benzofuran-3-carbohydrazide

2-(oxolan-2-ylmethoxymethyl)-1-benzofuran-3-carbohydrazide (PubChem CID 63575257) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethoxymethyl)-1-benzofuran-3-carbohydrazide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethoxymethyl)-1-benzofuran-3-carbohydrazide
PubChem CID63575257
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-(oxolan-2-ylmethoxymethyl)-1-benzofuran-3-carbohydrazide
SMILESNNC(=O)c1c(COCC2CCCO2)oc2ccccc12
InChIInChI=1S/C15H18N2O4/c16-17-15(18)14-11-5-1-2-6-12(11)21-13(14)9-19-8-10-4-3-7-20-10/h1-2,5-6,10H,3-4,7-9,16H2,(H,17,18)
InChIKeyRTKAFFCWIPAWQP-UHFFFAOYSA-N
XLogP1.73
TPSA86.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(cyclobutyloxymethyl)-1-benzofuran-3-carbohydrazide
CID 63569299
5-(oxolan-2-ylmethoxymethyl)thiophene-2-carbohydrazide
CID 63574396
5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 55213200
3-(oxan-2-ylmethoxymethyl)benzohydrazide
CID 55212613
2-(piperidin-1-ylmethyl)-1-benzofuran-3-carbohydrazide
CID 63569906
3-methyl-N'-[2-(oxolan-2-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide
CID 43048003
2-[(3-hydroxypiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 63585728
2-[(2-methylpiperidin-1-yl)methyl]-1-benzofuran-3-carbohydrazide
CID 63570845
2-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-3-carbohydrazide
CID 116793806
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
2-(propan-2-ylsulfanylmethyl)-1-benzofuran-3-carbohydrazide
CID 55214865
methyl 4-(oxolan-2-ylmethoxymethyl)benzoate
CID 43120523

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethoxymethyl)-1-benzofuran-3-carbohydrazide?
The IUPAC name of 2-(oxolan-2-ylmethoxymethyl)-1-benzofuran-3-carbohydrazide (CID 63575257) is 2-(oxolan-2-ylmethoxymethyl)-1-benzofuran-3-carbohydrazide.
What is the SMILES notation for 2-(oxolan-2-ylmethoxymethyl)-1-benzofuran-3-carbohydrazide?
The canonical SMILES for 2-(oxolan-2-ylmethoxymethyl)-1-benzofuran-3-carbohydrazide is NNC(=O)c1c(COCC2CCCO2)oc2ccccc12.
What is the InChIKey of 2-(oxolan-2-ylmethoxymethyl)-1-benzofuran-3-carbohydrazide?
The InChIKey is RTKAFFCWIPAWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c16-17-15(18)14-11-5-1-2-6-12(11)21-13(14)9-19-8-10-4-3-7-20-10/h1-2,5-6,10H,3-4,7-9,16H2,(H,17,18).
What are the key properties of 2-(oxolan-2-ylmethoxymethyl)-1-benzofuran-3-carbohydrazide?
2-(oxolan-2-ylmethoxymethyl)-1-benzofuran-3-carbohydrazide has a molecular weight of 290.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethoxymethyl)-1-benzofuran-3-carbohydrazide is sourced from PubChem (CID 63575257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).