[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine

C11H20N4O2 — CID 116778355

IUPAC[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine
SMILESCCOC1(c2noc(NN)n2)CCCC(C)C1
InChIInChI=1S/C11H20N4O2/c1-3-16-11(6-4-5-8(2)7-11)9-13-10(14-12)17-15-9/h8H,3-7,12H2,1-2H3,(H,13,14,15)
InChIKeyPTOBQPKDEBLTPP-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.80
Rot. Bonds4

About [3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine

[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine (PubChem CID 116778355) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is [3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine
PubChem CID116778355
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine
SMILESCCOC1(c2noc(NN)n2)CCCC(C)C1
InChIInChI=1S/C11H20N4O2/c1-3-16-11(6-4-5-8(2)7-11)9-13-10(14-12)17-15-9/h8H,3-7,12H2,1-2H3,(H,13,14,15)
InChIKeyPTOBQPKDEBLTPP-UHFFFAOYSA-N
XLogP1.80
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-amine
CID 116778278
N-[[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116742888
3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 116780451
4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 116742919
3-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116742867
3-(1-ethoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 116742913
N-[[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 116742896
(1S)-1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900379
4-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116742839
1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116742898
[2-(1-ethoxy-3-methylcyclohexyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 116777719
1-cyclopropyl-2-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 116780837

Frequently Asked Questions

What is the IUPAC name of [3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine?
The IUPAC name of [3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine (CID 116778355) is [3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine.
What is the SMILES notation for [3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine?
The canonical SMILES for [3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine is CCOC1(c2noc(NN)n2)CCCC(C)C1.
What is the InChIKey of [3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine?
The InChIKey is PTOBQPKDEBLTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-16-11(6-4-5-8(2)7-11)9-13-10(14-12)17-15-9/h8H,3-7,12H2,1-2H3,(H,13,14,15).
What are the key properties of [3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine?
[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine has a molecular weight of 240.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine is sourced from PubChem (CID 116778355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).