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

C15H21N3O2 — CID 116743682

IUPAC2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
SMILESCCC(C)(CN)c1nc(C(OC)c2ccccc2)no1
InChIInChI=1S/C15H21N3O2/c1-4-15(2,10-16)14-17-13(18-20-14)12(19-3)11-8-6-5-7-9-11/h5-9,12H,4,10,16H2,1-3H3
InChIKeyNIIRJHSSPJLDIM-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.43
Rot. Bonds6

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

2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine (PubChem CID 116743682) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
PubChem CID116743682
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
SMILESCCC(C)(CN)c1nc(C(OC)c2ccccc2)no1
InChIInChI=1S/C15H21N3O2/c1-4-15(2,10-16)14-17-13(18-20-14)12(19-3)11-8-6-5-7-9-11/h5-9,12H,4,10,16H2,1-3H3
InChIKeyNIIRJHSSPJLDIM-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 116743752
[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66490997
1-cyclopropyl-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 116743716
1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 116743797
2-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116743922
3-amino-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837364
ethyl 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]acetate
CID 116744216
1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116780931
[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66490998
3-methoxy-1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116743749
1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 116780933
5-but-3-ynyl-3-[methoxy(phenyl)methyl]-1,2,4-oxadiazole
CID 87101717

Frequently Asked Questions

What is the IUPAC name of 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine?
The IUPAC name of 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine (CID 116743682) is 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine.
What is the SMILES notation for 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine?
The canonical SMILES for 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine is CCC(C)(CN)c1nc(C(OC)c2ccccc2)no1.
What is the InChIKey of 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine?
The InChIKey is NIIRJHSSPJLDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-15(2,10-16)14-17-13(18-20-14)12(19-3)11-8-6-5-7-9-11/h5-9,12H,4,10,16H2,1-3H3.
What are the key properties of 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine?
2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine is sourced from PubChem (CID 116743682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).