3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine

C11H19N3O2 — CID 62596141

IUPAC3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(C2CCCCC2)no1
InChIInChI=1S/C11H19N3O2/c1-15-8-7-12-11-13-10(14-16-11)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,13,14)
InChIKeyZBIANIQQNFWUCY-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.18
Rot. Bonds5

About 3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine

3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 62596141) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
PubChem CID62596141
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(C2CCCCC2)no1
InChIInChI=1S/C11H19N3O2/c1-15-8-7-12-11-13-10(14-16-11)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,13,14)
InChIKeyZBIANIQQNFWUCY-UHFFFAOYSA-N
XLogP2.18
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine (CID 62596141) is 3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine is COCCNc1nc(C2CCCCC2)no1.
What is the InChIKey of 3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is ZBIANIQQNFWUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-15-8-7-12-11-13-10(14-16-11)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,12,13,14).
What are the key properties of 3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine?
3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 225.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62596141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).