3-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine

C12H15N3O2 — CID 62478427

IUPAC3-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCOCCC(N)c1nc(-c2ccccc2)no1
InChIInChI=1S/C12H15N3O2/c1-16-8-7-10(13)12-14-11(15-17-12)9-5-3-2-4-6-9/h2-6,10H,7-8,13H2,1H3
InChIKeyWVKHHQQFNCBRNM-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.77
Rot. Bonds5

About 3-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine

3-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 62478427) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID62478427
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCOCCC(N)c1nc(-c2ccccc2)no1
InChIInChI=1S/C12H15N3O2/c1-16-8-7-10(13)12-14-11(15-17-12)9-5-3-2-4-6-9/h2-6,10H,7-8,13H2,1H3
InChIKeyWVKHHQQFNCBRNM-UHFFFAOYSA-N
XLogP1.77
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 81077940
1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630132
3-methylsulfanyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43103233
(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 2512349
3-methoxy-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116743749
3-methoxy-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 81147073
3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride
CID 120835072
(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 118879260
1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630127
(1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 29052317
1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine
CID 62479151
3-amino-3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 62716743

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of 3-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 62478427) is 3-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for 3-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine is COCCC(N)c1nc(-c2ccccc2)no1.
What is the InChIKey of 3-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is WVKHHQQFNCBRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-16-8-7-10(13)12-14-11(15-17-12)9-5-3-2-4-6-9/h2-6,10H,7-8,13H2,1H3.
What are the key properties of 3-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
3-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 233.27 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 62478427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).