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

C15H21N3O — CID 115428092

IUPAC2-methyl-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(C)(CN)c1nc(C(C)(C)c2ccccc2)no1
InChIInChI=1S/C15H21N3O/c1-14(2,10-16)13-17-12(18-19-13)15(3,4)11-8-6-5-7-9-11/h5-9H,10,16H2,1-4H3
InChIKeyIFTRUHJYFNQJRK-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.63
Rot. Bonds4

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

2-methyl-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 115428092) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methyl-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID115428092
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-methyl-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(C)(CN)c1nc(C(C)(C)c2ccccc2)no1
InChIInChI=1S/C15H21N3O/c1-14(2,10-16)13-17-12(18-19-13)15(3,4)11-8-6-5-7-9-11/h5-9H,10,16H2,1-4H3
InChIKeyIFTRUHJYFNQJRK-UHFFFAOYSA-N
XLogP2.63
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-[3-(3-phenylpentan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115428096
5-(2-chloroethyl)-3-(2-phenylpropan-2-yl)-1,2,4-oxadiazole
CID 63084325
3-[5-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61326508
[1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 115450902
(1R)-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899768
[1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81164398
3-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79200821
2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 113308039
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine
CID 62488541
3,3-dimethyl-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349675
2-amino-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63084824
N-(2-methylpropyl)-3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-amine
CID 63084528

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 2-methyl-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 115428092) is 2-methyl-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-methyl-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CC(C)(CN)c1nc(C(C)(C)c2ccccc2)no1.
What is the InChIKey of 2-methyl-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is IFTRUHJYFNQJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-14(2,10-16)13-17-12(18-19-13)15(3,4)11-8-6-5-7-9-11/h5-9H,10,16H2,1-4H3.
What are the key properties of 2-methyl-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
2-methyl-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 115428092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).