2-(3-methylbutoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine

C16H23N3O2 — CID 62131084

IUPAC2-(3-methylbutoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCC(C)CCOCCNCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H23N3O2/c1-13(2)8-10-20-11-9-17-12-15-18-19-16(21-15)14-6-4-3-5-7-14/h3-7,13,17H,8-12H2,1-2H3
InChIKeyFWYNUHKUQVXNNB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.89
Rot. Bonds9

About 2-(3-methylbutoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine

2-(3-methylbutoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (PubChem CID 62131084) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-methylbutoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
PubChem CID62131084
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-(3-methylbutoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
SMILESCC(C)CCOCCNCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H23N3O2/c1-13(2)8-10-20-11-9-17-12-15-18-19-16(21-15)14-6-4-3-5-7-14/h3-7,13,17H,8-12H2,1-2H3
InChIKeyFWYNUHKUQVXNNB-UHFFFAOYSA-N
XLogP2.89
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.89
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 2-(3-methylbutoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(3-methylbutoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine (CID 62131084) is 2-(3-methylbutoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(3-methylbutoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(3-methylbutoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is CC(C)CCOCCNCc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-(3-methylbutoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
The InChIKey is FWYNUHKUQVXNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(2)8-10-20-11-9-17-12-15-18-19-16(21-15)14-6-4-3-5-7-14/h3-7,13,17H,8-12H2,1-2H3.
What are the key properties of 2-(3-methylbutoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine?
2-(3-methylbutoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 62131084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).