5-[1-(2-methoxyethoxy)ethyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine

C16H23N3O3 — CID 167770244

IUPAC5-[1-(2-methoxyethoxy)ethyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOCCOC(C)c1nnc(NC(C)Cc2ccccc2)o1
InChIInChI=1S/C16H23N3O3/c1-12(11-14-7-5-4-6-8-14)17-16-19-18-15(22-16)13(2)21-10-9-20-3/h4-8,12-13H,9-11H2,1-3H3,(H,17,19)
InChIKeyVWEFVGITDFXQJG-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.84
Rot. Bonds9

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

5-[1-(2-methoxyethoxy)ethyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 167770244) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-[1-(2-methoxyethoxy)ethyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(2-methoxyethoxy)ethyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID167770244
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name5-[1-(2-methoxyethoxy)ethyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOCCOC(C)c1nnc(NC(C)Cc2ccccc2)o1
InChIInChI=1S/C16H23N3O3/c1-12(11-14-7-5-4-6-8-14)17-16-19-18-15(22-16)13(2)21-10-9-20-3/h4-8,12-13H,9-11H2,1-3H3,(H,17,19)
InChIKeyVWEFVGITDFXQJG-UHFFFAOYSA-N
XLogP2.84
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.84
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 5-[1-(2-methoxyethoxy)ethyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(2-methoxyethoxy)ethyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine (CID 167770244) is 5-[1-(2-methoxyethoxy)ethyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(2-methoxyethoxy)ethyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(2-methoxyethoxy)ethyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine is COCCOC(C)c1nnc(NC(C)Cc2ccccc2)o1.
What is the InChIKey of 5-[1-(2-methoxyethoxy)ethyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is VWEFVGITDFXQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(11-14-7-5-4-6-8-14)17-16-19-18-15(22-16)13(2)21-10-9-20-3/h4-8,12-13H,9-11H2,1-3H3,(H,17,19).
What are the key properties of 5-[1-(2-methoxyethoxy)ethyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine?
5-[1-(2-methoxyethoxy)ethyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 305.38 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyethoxy)ethyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 167770244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).