5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,2-oxazole-3-carbohydrazide

C13H19N3O3 — CID 63574753

IUPAC5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,2-oxazole-3-carbohydrazide
SMILESCC1CC=CCC1COCc1cc(C(=O)NN)no1
InChIInChI=1S/C13H19N3O3/c1-9-4-2-3-5-10(9)7-18-8-11-6-12(16-19-11)13(17)15-14/h2-3,6,9-10H,4-5,7-8,14H2,1H3,(H,15,17)
InChIKeySXJGJMYSWWTGTQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.40
Rot. Bonds5

About 5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,2-oxazole-3-carbohydrazide

5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,2-oxazole-3-carbohydrazide (PubChem CID 63574753) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,2-oxazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,2-oxazole-3-carbohydrazide
PubChem CID63574753
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,2-oxazole-3-carbohydrazide
SMILESCC1CC=CCC1COCc1cc(C(=O)NN)no1
InChIInChI=1S/C13H19N3O3/c1-9-4-2-3-5-10(9)7-18-8-11-6-12(16-19-11)13(17)15-14/h2-3,6,9-10H,4-5,7-8,14H2,1H3,(H,15,17)
InChIKeySXJGJMYSWWTGTQ-UHFFFAOYSA-N
XLogP1.40
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.40
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]pyridine-2-carbohydrazide
CID 106908803
5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 55213200
5-(prop-2-enoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 63576126
5-(octoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 63575530
5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63578218
5-[[methyl(propan-2-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 63570255
2-[[3-(hydrazinecarbonyl)-1,2-oxazol-5-yl]methyl-methylamino]acetamide
CID 63571778
5-[(4-hydroxy-N-methylanilino)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569750
5-[[methyl(oxolan-3-yl)amino]methyl]-1,2-oxazole-3-carbohydrazide
CID 82753867
5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carbohydrazide
CID 63586476
5-[(4-methyl-2,6-dioxopiperidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 79507342
2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]benzoic acid
CID 43473193

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,2-oxazole-3-carbohydrazide?
The IUPAC name of 5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,2-oxazole-3-carbohydrazide (CID 63574753) is 5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,2-oxazole-3-carbohydrazide.
What is the SMILES notation for 5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,2-oxazole-3-carbohydrazide?
The canonical SMILES for 5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,2-oxazole-3-carbohydrazide is CC1CC=CCC1COCc1cc(C(=O)NN)no1.
What is the InChIKey of 5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,2-oxazole-3-carbohydrazide?
The InChIKey is SXJGJMYSWWTGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-4-2-3-5-10(9)7-18-8-11-6-12(16-19-11)13(17)15-14/h2-3,6,9-10H,4-5,7-8,14H2,1H3,(H,15,17).
What are the key properties of 5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,2-oxazole-3-carbohydrazide?
5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,2-oxazole-3-carbohydrazide has a molecular weight of 265.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]-1,2-oxazole-3-carbohydrazide is sourced from PubChem (CID 63574753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).