3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine

C14H19N3O2 — CID 79613895

IUPAC3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
SMILESCOC(C)c1noc(CCC(N)c2ccccc2)n1
InChIInChI=1S/C14H19N3O2/c1-10(18-2)14-16-13(19-17-14)9-8-12(15)11-6-4-3-5-7-11/h3-7,10,12H,8-9,15H2,1-2H3
InChIKeyMYOSGYBDDFYGPT-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.41
Rot. Bonds6

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

3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine (PubChem CID 79613895) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
PubChem CID79613895
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC Name3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
SMILESCOC(C)c1noc(CCC(N)c2ccccc2)n1
InChIInChI=1S/C14H19N3O2/c1-10(18-2)14-16-13(19-17-14)9-8-12(15)11-6-4-3-5-7-11/h3-7,10,12H,8-9,15H2,1-2H3
InChIKeyMYOSGYBDDFYGPT-UHFFFAOYSA-N
XLogP2.41
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 54978293
3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 115345379
4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79616272
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-phenylpropan-1-amine
CID 62880091
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 71755379
phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
CID 54594395
[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66490997
1-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 60837559
5-but-3-ynyl-3-[methoxy(phenyl)methyl]-1,2,4-oxadiazole
CID 87101717
1-[5-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 62098753
1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116780931
1-[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 95757338

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine?
The IUPAC name of 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine (CID 79613895) is 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine.
What is the SMILES notation for 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine?
The canonical SMILES for 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine is COC(C)c1noc(CCC(N)c2ccccc2)n1.
What is the InChIKey of 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine?
The InChIKey is MYOSGYBDDFYGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(18-2)14-16-13(19-17-14)9-8-12(15)11-6-4-3-5-7-11/h3-7,10,12H,8-9,15H2,1-2H3.
What are the key properties of 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine?
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine has a molecular weight of 261.33 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine is sourced from PubChem (CID 79613895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).