5-[(3-methyl-4-nitrophenoxy)methyl]oxolane-2-carbohydrazide

C13H17N3O5 — CID 63574932

IUPAC5-[(3-methyl-4-nitrophenoxy)methyl]oxolane-2-carbohydrazide
SMILESCc1cc(OCC2CCC(C(=O)NN)O2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O5/c1-8-6-9(2-4-11(8)16(18)19)20-7-10-3-5-12(21-10)13(17)15-14/h2,4,6,10,12H,3,5,7,14H2,1H3,(H,15,17)
InChIKeyDOOXBQBLJDBSBC-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.82
Rot. Bonds5

About 5-[(3-methyl-4-nitrophenoxy)methyl]oxolane-2-carbohydrazide

5-[(3-methyl-4-nitrophenoxy)methyl]oxolane-2-carbohydrazide (PubChem CID 63574932) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-[(3-methyl-4-nitrophenoxy)methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[(3-methyl-4-nitrophenoxy)methyl]oxolane-2-carbohydrazide
PubChem CID63574932
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name5-[(3-methyl-4-nitrophenoxy)methyl]oxolane-2-carbohydrazide
SMILESCc1cc(OCC2CCC(C(=O)NN)O2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H17N3O5/c1-8-6-9(2-4-11(8)16(18)19)20-7-10-3-5-12(21-10)13(17)15-14/h2,4,6,10,12H,3,5,7,14H2,1H3,(H,15,17)
InChIKeyDOOXBQBLJDBSBC-UHFFFAOYSA-N
XLogP0.82
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[(3-methyl-4-nitrophenoxy)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-[(5-methyl-2-nitrophenoxy)methyl]oxolane-2-carbohydrazide
CID 63576465
5-[(3-methylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63576856
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
2-(3-methyl-4-nitrophenoxy)acetohydrazide
CID 2063569
5-[[4-(2-hydroxyethyl)phenoxy]methyl]oxolane-2-carbohydrazide
CID 107710073
5-[(3-formylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63570861
5-[(3,4-dimethylphenoxy)methyl]oxolane-2-carboxylic acid
CID 62299571
5-[(5-methyl-2-nitroanilino)methyl]oxolane-2-carboxamide
CID 133380696
3-methyl-2-(3-methyl-4-nitrophenoxy)butanehydrazide
CID 63574587
3-[(3-methyl-4-nitrophenoxy)methyl]pyrrolidine
CID 56830431

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-4-nitrophenoxy)methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[(3-methyl-4-nitrophenoxy)methyl]oxolane-2-carbohydrazide (CID 63574932) is 5-[(3-methyl-4-nitrophenoxy)methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[(3-methyl-4-nitrophenoxy)methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[(3-methyl-4-nitrophenoxy)methyl]oxolane-2-carbohydrazide is Cc1cc(OCC2CCC(C(=O)NN)O2)ccc1[N+](=O)[O-].
What is the InChIKey of 5-[(3-methyl-4-nitrophenoxy)methyl]oxolane-2-carbohydrazide?
The InChIKey is DOOXBQBLJDBSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-8-6-9(2-4-11(8)16(18)19)20-7-10-3-5-12(21-10)13(17)15-14/h2,4,6,10,12H,3,5,7,14H2,1H3,(H,15,17).
What are the key properties of 5-[(3-methyl-4-nitrophenoxy)methyl]oxolane-2-carbohydrazide?
5-[(3-methyl-4-nitrophenoxy)methyl]oxolane-2-carbohydrazide has a molecular weight of 295.30 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-4-nitrophenoxy)methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 63574932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).