5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide

C13H15N3O3 — CID 55214373

IUPAC5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide
SMILESN#Cc1ccc(OCC2CCC(C(=O)NN)O2)cc1
InChIInChI=1S/C13H15N3O3/c14-7-9-1-3-10(4-2-9)18-8-11-5-6-12(19-11)13(17)16-15/h1-4,11-12H,5-6,8,15H2,(H,16,17)
InChIKeyBXUGQRALXNPSMP-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.47
Rot. Bonds4

About 5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide

5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide (PubChem CID 55214373) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide
PubChem CID55214373
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide
SMILESN#Cc1ccc(OCC2CCC(C(=O)NN)O2)cc1
InChIInChI=1S/C13H15N3O3/c14-7-9-1-3-10(4-2-9)18-8-11-5-6-12(19-11)13(17)16-15/h1-4,11-12H,5-6,8,15H2,(H,16,17)
InChIKeyBXUGQRALXNPSMP-UHFFFAOYSA-N
XLogP0.47
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.47
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

5-[[4-(2-hydroxyethyl)phenoxy]methyl]oxolane-2-carbohydrazide
CID 107710073
5-(2,3-dihydro-1H-inden-5-yloxymethyl)oxolane-2-carbohydrazide
CID 63575216
5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63576856
5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63570861
5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide
CID 107315431
5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide
CID 63570508
2-[[5-(hydrazinecarbonyl)oxolan-2-yl]methoxy]benzamide
CID 63574823
5-[(2,4,5-trichlorophenoxy)methyl]oxolane-2-carbohydrazide
CID 63576364
5-[[2-(trifluoromethyl)phenoxy]methyl]oxolane-2-carbohydrazide
CID 63576991
5-[(2-methyl-5-propan-2-ylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63568562
5-[[(3-cyanophenyl)methyl-methylamino]methyl]oxolane-2-carbohydrazide
CID 63583170
5-[(2-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63574989

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide (CID 55214373) is 5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide is N#Cc1ccc(OCC2CCC(C(=O)NN)O2)cc1.
What is the InChIKey of 5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide?
The InChIKey is BXUGQRALXNPSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c14-7-9-1-3-10(4-2-9)18-8-11-5-6-12(19-11)13(17)16-15/h1-4,11-12H,5-6,8,15H2,(H,16,17).
What are the key properties of 5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide?
5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide has a molecular weight of 261.28 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 55214373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).