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

C17H25N3O — CID 115428096

IUPAC2-methyl-2-[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCC(CC)(c1ccccc1)c1noc(C(C)(C)CN)n1
InChIInChI=1S/C17H25N3O/c1-5-17(6-2,13-10-8-7-9-11-13)14-19-15(21-20-14)16(3,4)12-18/h7-11H,5-6,12,18H2,1-4H3
InChIKeyOEVPDMUXJRYHOV-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.41
Rot. Bonds6

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

2-methyl-2-[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 115428096) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-methyl-2-[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID115428096
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-methyl-2-[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCC(CC)(c1ccccc1)c1noc(C(C)(C)CN)n1
InChIInChI=1S/C17H25N3O/c1-5-17(6-2,13-10-8-7-9-11-13)14-19-15(21-20-14)16(3,4)12-18/h7-11H,5-6,12,18H2,1-4H3
InChIKeyOEVPDMUXJRYHOV-UHFFFAOYSA-N
XLogP3.41
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115428092
[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]methanol
CID 55260810
3-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326508
4-[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63345094
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine
CID 62488541
2-[[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 63081195
1-[5-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863922
2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 113308039
[2-(3-phenylpentan-3-yl)pyrimidin-5-yl]methanamine
CID 63081193
2-methyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 113308031
2-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 136984470
2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine;hydrochloride
CID 119947609

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 2-methyl-2-[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 115428096) is 2-methyl-2-[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-methyl-2-[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CCC(CC)(c1ccccc1)c1noc(C(C)(C)CN)n1.
What is the InChIKey of 2-methyl-2-[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is OEVPDMUXJRYHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-17(6-2,13-10-8-7-9-11-13)14-19-15(21-20-14)16(3,4)12-18/h7-11H,5-6,12,18H2,1-4H3.
What are the key properties of 2-methyl-2-[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
2-methyl-2-[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 115428096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).