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

C15H21N3O3 — CID 102926580

IUPAC1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
SMILESCOCCOCCc1noc(C(N)Cc2ccccc2)n1
InChIInChI=1S/C15H21N3O3/c1-19-9-10-20-8-7-14-17-15(21-18-14)13(16)11-12-5-3-2-4-6-12/h2-6,13H,7-11,16H2,1H3
InChIKeyKXSBURKDHKKRBF-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.52
Rot. Bonds9

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

1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine (PubChem CID 102926580) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine.

Molecular Properties

Compound Name1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
PubChem CID102926580
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
SMILESCOCCOCCc1noc(C(N)Cc2ccccc2)n1
InChIInChI=1S/C15H21N3O3/c1-19-9-10-20-8-7-14-17-15(21-18-14)13(16)11-12-5-3-2-4-6-12/h2-6,13H,7-11,16H2,1H3
InChIKeyKXSBURKDHKKRBF-UHFFFAOYSA-N
XLogP1.52
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The IUPAC name of 1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine (CID 102926580) is 1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine.
What is the SMILES notation for 1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The canonical SMILES for 1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine is COCCOCCc1noc(C(N)Cc2ccccc2)n1.
What is the InChIKey of 1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The InChIKey is KXSBURKDHKKRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-19-9-10-20-8-7-14-17-15(21-18-14)13(16)11-12-5-3-2-4-6-12/h2-6,13H,7-11,16H2,1H3.
What are the key properties of 1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine has a molecular weight of 291.35 g/mol, XLogP of 1.52, 9 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]-2-phenylethanamine is sourced from PubChem (CID 102926580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).