[1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine

C17H23N3O — CID 81164398

IUPAC[1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
SMILESCC(C)(c1ccccc1)c1noc(CC2(CN)CCC2)n1
InChIInChI=1S/C17H23N3O/c1-16(2,13-7-4-3-5-8-13)15-19-14(21-20-15)11-17(12-18)9-6-10-17/h3-5,7-8H,6,9-12,18H2,1-2H3
InChIKeyVBNATVFACGQXGP-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.07
Rot. Bonds5

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

[1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine (PubChem CID 81164398) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
PubChem CID81164398
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
SMILESCC(C)(c1ccccc1)c1noc(CC2(CN)CCC2)n1
InChIInChI=1S/C17H23N3O/c1-16(2,13-7-4-3-5-8-13)15-19-14(21-20-15)11-17(12-18)9-6-10-17/h3-5,7-8H,6,9-12,18H2,1-2H3
InChIKeyVBNATVFACGQXGP-UHFFFAOYSA-N
XLogP3.07
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutyl]methanamine
CID 81161290
[1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 115450902
[1-[[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
CID 116740484
5-(2-chloroethyl)-3-(2-phenylpropan-2-yl)-1,2,4-oxadiazole
CID 63084325
2-methyl-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115428092
3,3-dimethyl-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349675
3-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79200821
methyl 2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474440
[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine
CID 64759373
[1-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81162275
[1-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81162265
5-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-oxadiazol-3-amine
CID 65417050

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine (CID 81164398) is [1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine is CC(C)(c1ccccc1)c1noc(CC2(CN)CCC2)n1.
What is the InChIKey of [1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine?
The InChIKey is VBNATVFACGQXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-16(2,13-7-4-3-5-8-13)15-19-14(21-20-15)11-17(12-18)9-6-10-17/h3-5,7-8H,6,9-12,18H2,1-2H3.
What are the key properties of [1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine?
[1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine is sourced from PubChem (CID 81164398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).