5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide

C13H23N3O3 — CID 63575530

IUPAC5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide
SMILESCCCCCCCCOCc1cc(C(=O)NN)no1
InChIInChI=1S/C13H23N3O3/c1-2-3-4-5-6-7-8-18-10-11-9-12(16-19-11)13(17)15-14/h9H,2-8,10,14H2,1H3,(H,15,17)
InChIKeyFYAADIGWACKSHB-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.16
Rot. Bonds10

About 5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide

5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide (PubChem CID 63575530) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide
PubChem CID63575530
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide
SMILESCCCCCCCCOCc1cc(C(=O)NN)no1
InChIInChI=1S/C13H23N3O3/c1-2-3-4-5-6-7-8-18-10-11-9-12(16-19-11)13(17)15-14/h9H,2-8,10,14H2,1H3,(H,15,17)
InChIKeyFYAADIGWACKSHB-UHFFFAOYSA-N
XLogP2.16
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.16
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'}

Analyze 5-(octoxymethyl)-1,2-oxazole-3-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

3-methyl-5-(octoxymethyl)-1,2-oxazole
CID 13460560
5-(prop-2-enoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 63576126
5-[(dibutylamino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63572496
5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 61397567
N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 55077772
5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 55213200
5-[(4-ethylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 55214370
2-(octoxymethyl)furan-3-carbohydrazide
CID 63574840
2-methyl-N-[[5-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62455149
5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,2-oxazole-3-carbohydrazide
CID 63574753
5-ethyl-N-pentyl-1,2-oxazole-3-carboxamide
CID 160831155
5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide
CID 63586476

Frequently Asked Questions

What is the IUPAC name of 5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide (CID 63575530) is 5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide is CCCCCCCCOCc1cc(C(=O)NN)no1.
What is the InChIKey of 5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide?
The InChIKey is FYAADIGWACKSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-2-3-4-5-6-7-8-18-10-11-9-12(16-19-11)13(17)15-14/h9H,2-8,10,14H2,1H3,(H,15,17).
What are the key properties of 5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide?
5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide has a molecular weight of 269.34 g/mol, XLogP of 2.16, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63575530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).