2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine

C15H21N3O — CID 62884711

IUPAC2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
SMILESCC(C)CCc1noc(C(CN)c2ccccc2)n1
InChIInChI=1S/C15H21N3O/c1-11(2)8-9-14-17-15(19-18-14)13(10-16)12-6-4-3-5-7-12/h3-7,11,13H,8-10,16H2,1-2H3
InChIKeyINKIETYWSILFTO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.75
Rot. Bonds6

About 2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine

2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine (PubChem CID 62884711) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine.

Molecular Properties

Compound Name2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
PubChem CID62884711
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
SMILESCC(C)CCc1noc(C(CN)c2ccccc2)n1
InChIInChI=1S/C15H21N3O/c1-11(2)8-9-14-17-15(19-18-14)13(10-16)12-6-4-3-5-7-12/h3-7,11,13H,8-10,16H2,1-2H3
InChIKeyINKIETYWSILFTO-UHFFFAOYSA-N
XLogP2.75
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 104847420
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 79076954
2-phenyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62884547
5-(2-amino-1-phenylethyl)-1,2,4-oxadiazol-3-amine
CID 65416623
2-phenyl-2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 62884718
2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62675383
4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685815
3-methyl-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222594
(1S)-2,2-dimethyl-1-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104899383
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 115529371
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 62884713
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 62884702

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The IUPAC name of 2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine (CID 62884711) is 2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine.
What is the SMILES notation for 2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The canonical SMILES for 2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine is CC(C)CCc1noc(C(CN)c2ccccc2)n1.
What is the InChIKey of 2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The InChIKey is INKIETYWSILFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)8-9-14-17-15(19-18-14)13(10-16)12-6-4-3-5-7-12/h3-7,11,13H,8-10,16H2,1-2H3.
What are the key properties of 2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine is sourced from PubChem (CID 62884711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).