5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide

C13H18N2O3 — CID 63576856

IUPAC5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide
SMILESCc1cccc(OCC2CCC(C(=O)NN)O2)c1
InChIInChI=1S/C13H18N2O3/c1-9-3-2-4-10(7-9)17-8-11-5-6-12(18-11)13(16)15-14/h2-4,7,11-12H,5-6,8,14H2,1H3,(H,15,16)
InChIKeyPZWDENVYODZPPY-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.91
Rot. Bonds4

About 5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide

5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide (PubChem CID 63576856) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide
PubChem CID63576856
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide
SMILESCc1cccc(OCC2CCC(C(=O)NN)O2)c1
InChIInChI=1S/C13H18N2O3/c1-9-3-2-4-10(7-9)17-8-11-5-6-12(18-11)13(16)15-14/h2-4,7,11-12H,5-6,8,14H2,1H3,(H,15,16)
InChIKeyPZWDENVYODZPPY-UHFFFAOYSA-N
XLogP0.91
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63570861
5-[(3-methyl-4-nitrophenoxy)methyl]oxolane-2-carbohydrazide
CID 63574932
5-[(2-methoxy-4-methylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63574989
5-[(3-methylphenyl)sulfanylmethyl]oxolane-2-carbohydrazide
CID 63580547
5-(2,3-dihydro-1H-inden-5-yloxymethyl)oxolane-2-carbohydrazide
CID 63575216
5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide
CID 55214373
5-(quinolin-7-yloxymethyl)oxolane-2-carbohydrazide
CID 107315431
5-(2-phenoxyethoxymethyl)oxolane-2-carbohydrazide
CID 63574550
5-(naphthalen-1-yloxymethyl)oxolane-2-carbohydrazide
CID 63576009
5-[[4-(2-hydroxyethyl)phenoxy]methyl]oxolane-2-carbohydrazide
CID 107710073
5-[(2-methyl-5-propan-2-ylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63568562
5-[(2-iodophenoxy)methyl]oxolane-2-carbohydrazide
CID 63570508

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide (CID 63576856) is 5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide is Cc1cccc(OCC2CCC(C(=O)NN)O2)c1.
What is the InChIKey of 5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide?
The InChIKey is PZWDENVYODZPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-3-2-4-10(7-9)17-8-11-5-6-12(18-11)13(16)15-14/h2-4,7,11-12H,5-6,8,14H2,1H3,(H,15,16).
What are the key properties of 5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide?
5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide has a molecular weight of 250.30 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 63576856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).