2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide

C13H17N3O4 — CID 63574823

IUPAC2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide
SMILESNNC(=O)C1CCC(COc2ccccc2C(N)=O)O1
InChIInChI=1S/C13H17N3O4/c14-12(17)9-3-1-2-4-10(9)19-7-8-5-6-11(20-8)13(18)16-15/h1-4,8,11H,5-7,15H2,(H2,14,17)(H,16,18)
InChIKeyWUUDEYARMGXEDL-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.30
Rot. Bonds5

About 2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide

2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide (PubChem CID 63574823) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide
PubChem CID63574823
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide
SMILESNNC(=O)C1CCC(COc2ccccc2C(N)=O)O1
InChIInChI=1S/C13H17N3O4/c14-12(17)9-3-1-2-4-10(9)19-7-8-5-6-11(20-8)13(18)16-15/h1-4,8,11H,5-7,15H2,(H2,14,17)(H,16,18)
InChIKeyWUUDEYARMGXEDL-UHFFFAOYSA-N
XLogP-0.30
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
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

5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide
CID 63570508
5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide
CID 63576009
5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide
CID 63576991
2-fluoro-6-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide
CID 63568919
5-[(2,5-difluorophenoxy)methyl]oxolane-2-carbohydrazide
CID 63570371
5-[(2,4,5-trichlorophenoxy)methyl]oxolane-2-carbohydrazide
CID 63576364
5-(2-phenoxyethoxymethyl)oxolane-2-carbohydrazide
CID 63574550
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
5-[(2-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63574989
5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide
CID 55214373
5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63576856
5-[(2-methyl-5-propan-2-ylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63568562

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide?
The IUPAC name of 2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide (CID 63574823) is 2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for 2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for 2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide is NNC(=O)C1CCC(COc2ccccc2C(N)=O)O1.
What is the InChIKey of 2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide?
The InChIKey is WUUDEYARMGXEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c14-12(17)9-3-1-2-4-10(9)19-7-8-5-6-11(20-8)13(18)16-15/h1-4,8,11H,5-7,15H2,(H2,14,17)(H,16,18).
What are the key properties of 2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide?
2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide has a molecular weight of 279.30 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 63574823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).