5-(2-phenoxyethoxymethyl)oxolane-2-carbohydrazide

C14H20N2O4 — CID 63574550

IUPAC5-(2-phenoxyethoxymethyl)oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(COCCOc2ccccc2)O1
InChIInChI=1S/C14H20N2O4/c15-16-14(17)13-7-6-12(20-13)10-18-8-9-19-11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2,(H,16,17)
InChIKeyQPNBWJCDUHINGC-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.62
Rot. Bonds7

About 5-(2-phenoxyethoxymethyl)oxolane-2-carbohydrazide

5-(2-phenoxyethoxymethyl)oxolane-2-carbohydrazide (PubChem CID 63574550) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-(2-phenoxyethoxymethyl)oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-(2-phenoxyethoxymethyl)oxolane-2-carbohydrazide
PubChem CID63574550
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name5-(2-phenoxyethoxymethyl)oxolane-2-carbohydrazide
SMILESNNC(=O)C1CCC(COCCOc2ccccc2)O1
InChIInChI=1S/C14H20N2O4/c15-16-14(17)13-7-6-12(20-13)10-18-8-9-19-11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2,(H,16,17)
InChIKeyQPNBWJCDUHINGC-UHFFFAOYSA-N
XLogP0.62
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide
CID 55214373
5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide
CID 63570508
5-[(2-fluorophenyl)methoxymethyl]oxolane-2-carbohydrazide
CID 63937604
5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide
CID 63576009
5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63570861
5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide
CID 63576991
5-(3,3,3-trifluoropropoxymethyl)oxolane-2-carbohydrazide
CID 82957880
5-(2,3-dihydro-1H-inden-5-yloxymethyl)oxolane-2-carbohydrazide
CID 63575216
5-[(2,5-difluorophenoxy)methyl]oxolane-2-carbohydrazide
CID 63570371
5-[(2,4,5-trichlorophenoxy)methyl]oxolane-2-carbohydrazide
CID 63576364
2-fluoro-6-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide
CID 63568919
2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane
CID 59687579

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenoxyethoxymethyl)oxolane-2-carbohydrazide?
The IUPAC name of 5-(2-phenoxyethoxymethyl)oxolane-2-carbohydrazide (CID 63574550) is 5-(2-phenoxyethoxymethyl)oxolane-2-carbohydrazide.
What is the SMILES notation for 5-(2-phenoxyethoxymethyl)oxolane-2-carbohydrazide?
The canonical SMILES for 5-(2-phenoxyethoxymethyl)oxolane-2-carbohydrazide is NNC(=O)C1CCC(COCCOc2ccccc2)O1.
What is the InChIKey of 5-(2-phenoxyethoxymethyl)oxolane-2-carbohydrazide?
The InChIKey is QPNBWJCDUHINGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c15-16-14(17)13-7-6-12(20-13)10-18-8-9-19-11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2,(H,16,17).
What are the key properties of 5-(2-phenoxyethoxymethyl)oxolane-2-carbohydrazide?
5-(2-phenoxyethoxymethyl)oxolane-2-carbohydrazide has a molecular weight of 280.32 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenoxyethoxymethyl)oxolane-2-carbohydrazide is sourced from PubChem (CID 63574550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).