[1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine

C14H25N3O3 — CID 102926483

IUPAC[1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCOCCOCCc1noc(C2(CN)CCCCC2)n1
InChIInChI=1S/C14H25N3O3/c1-18-9-10-19-8-5-12-16-13(20-17-12)14(11-15)6-3-2-4-7-14/h2-11,15H2,1H3
InChIKeyUXPJLRSIKDTWHQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.44
Rot. Bonds8

About [1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine

[1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (PubChem CID 102926483) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is [1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
PubChem CID102926483
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name[1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCOCCOCCc1noc(C2(CN)CCCCC2)n1
InChIInChI=1S/C14H25N3O3/c1-18-9-10-19-8-5-12-16-13(20-17-12)14(11-15)6-3-2-4-7-14/h2-11,15H2,1H3
InChIKeyUXPJLRSIKDTWHQ-UHFFFAOYSA-N
XLogP1.44
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 [1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The IUPAC name of [1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (CID 102926483) is [1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The canonical SMILES for [1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is COCCOCCc1noc(C2(CN)CCCCC2)n1.
What is the InChIKey of [1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The InChIKey is UXPJLRSIKDTWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-18-9-10-19-8-5-12-16-13(20-17-12)14(11-15)6-3-2-4-7-14/h2-11,15H2,1H3.
What are the key properties of [1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
[1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine has a molecular weight of 283.37 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is sourced from PubChem (CID 102926483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).