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

C14H19N3O3 — CID 116743749

IUPAC3-methoxy-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCOCCC(N)c1nc(C(OC)c2ccccc2)no1
InChIInChI=1S/C14H19N3O3/c1-18-9-8-11(15)14-16-13(17-20-14)12(19-2)10-6-4-3-5-7-10/h3-7,11-12H,8-9,15H2,1-2H3
InChIKeyVJAAIICQLDJWBH-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.84
Rot. Bonds7

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

3-methoxy-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 116743749) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-methoxy-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID116743749
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-methoxy-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCOCCC(N)c1nc(C(OC)c2ccccc2)no1
InChIInChI=1S/C14H19N3O3/c1-18-9-8-11(15)14-16-13(17-20-14)12(19-2)10-6-4-3-5-7-10/h3-7,11-12H,8-9,15H2,1-2H3
InChIKeyVJAAIICQLDJWBH-UHFFFAOYSA-N
XLogP1.84
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 116743797
3-amino-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837364
1-[5-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 62098753
3-methoxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 62478427
N-[1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 116781498
[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66490997
(1R)-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 118879260
(1S)-1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899946
1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116780931
1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine
CID 62478080
2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116743682
1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 116780933

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 3-methoxy-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 116743749) is 3-methoxy-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-methoxy-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-methoxy-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine is COCCC(N)c1nc(C(OC)c2ccccc2)no1.
What is the InChIKey of 3-methoxy-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is VJAAIICQLDJWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-18-9-8-11(15)14-16-13(17-20-14)12(19-2)10-6-4-3-5-7-10/h3-7,11-12H,8-9,15H2,1-2H3.
What are the key properties of 3-methoxy-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
3-methoxy-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 277.32 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 116743749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).