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

C15H21N3O2 — CID 116733106

IUPAC2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
SMILESCCC(OC)c1noc(C(C)C(N)c2ccccc2)n1
InChIInChI=1S/C15H21N3O2/c1-4-12(19-3)14-17-15(20-18-14)10(2)13(16)11-8-6-5-7-9-11/h5-10,12-13H,4,16H2,1-3H3
InChIKeyOKFSTZBSDLUYKR-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.97
Rot. Bonds6

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

2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine (PubChem CID 116733106) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
PubChem CID116733106
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
SMILESCCC(OC)c1noc(C(C)C(N)c2ccccc2)n1
InChIInChI=1S/C15H21N3O2/c1-4-12(19-3)14-17-15(20-18-14)10(2)13(16)11-8-6-5-7-9-11/h5-10,12-13H,4,16H2,1-3H3
InChIKeyOKFSTZBSDLUYKR-UHFFFAOYSA-N
XLogP2.97
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine
CID 104847428
1-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116701835
1-[5-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 62098753
[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 116701976
5-(1-amino-1-phenylpropan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116809394
2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 104847420
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 116733060
5-[1-(azetidin-3-yl)ethyl]-3-(1-methoxypropyl)-1,2,4-oxadiazole
CID 116701872
(1S)-1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103822421
(1S)-1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899946
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116733062
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride
CID 119948094

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine?
The IUPAC name of 2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine (CID 116733106) is 2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine.
What is the SMILES notation for 2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine?
The canonical SMILES for 2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine is CCC(OC)c1noc(C(C)C(N)c2ccccc2)n1.
What is the InChIKey of 2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine?
The InChIKey is OKFSTZBSDLUYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-12(19-3)14-17-15(20-18-14)10(2)13(16)11-8-6-5-7-9-11/h5-10,12-13H,4,16H2,1-3H3.
What are the key properties of 2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine?
2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine is sourced from PubChem (CID 116733106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).