1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine

C14H19N3O2 — CID 61326237

IUPAC1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCC(N)c1noc(CCc2ccc(OC)cc2)n1
InChIInChI=1S/C14H19N3O2/c1-3-12(15)14-16-13(19-17-14)9-6-10-4-7-11(18-2)8-5-10/h4-5,7-8,12H,3,6,9,15H2,1-2H3
InChIKeyKOORMOIDFPJOKO-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.27
Rot. Bonds6

About 1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine

1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 61326237) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID61326237
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCCC(N)c1noc(CCc2ccc(OC)cc2)n1
InChIInChI=1S/C14H19N3O2/c1-3-12(15)14-16-13(19-17-14)9-6-10-4-7-11(18-2)8-5-10/h4-5,7-8,12H,3,6,9,15H2,1-2H3
InChIKeyKOORMOIDFPJOKO-UHFFFAOYSA-N
XLogP2.27
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61325608
1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 61324231
1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325212
4-[2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 116702947
1-[5-(2-bromo-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325628
4-[2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 116703230
4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 80502975
2-ethoxy-1-[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633999
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61324401
1-[5-[2-(3-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 62367459
1-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634665
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-phenylpropan-1-amine
CID 62880091

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 61326237) is 1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine is CCC(N)c1noc(CCc2ccc(OC)cc2)n1.
What is the InChIKey of 1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is KOORMOIDFPJOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-12(15)14-16-13(19-17-14)9-6-10-4-7-11(18-2)8-5-10/h4-5,7-8,12H,3,6,9,15H2,1-2H3.
What are the key properties of 1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine?
1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 261.32 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(4-methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 61326237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).