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

C15H19N3O — CID 115450902

IUPAC[1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
SMILESCC(C)(c1ccccc1)c1noc(C2(CN)CC2)n1
InChIInChI=1S/C15H19N3O/c1-14(2,11-6-4-3-5-7-11)12-17-13(19-18-12)15(10-16)8-9-15/h3-7H,8-10,16H2,1-2H3
InChIKeyNDLXUJAXTSZHIG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.39
Rot. Bonds4

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

[1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine (PubChem CID 115450902) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
PubChem CID115450902
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
SMILESCC(C)(c1ccccc1)c1noc(C2(CN)CC2)n1
InChIInChI=1S/C15H19N3O/c1-14(2,11-6-4-3-5-7-11)12-17-13(19-18-12)15(10-16)8-9-15/h3-7H,8-10,16H2,1-2H3
InChIKeyNDLXUJAXTSZHIG-UHFFFAOYSA-N
XLogP2.39
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81164398
2-methyl-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115428092
4-methyl-4-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66249155
(1R)-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899768
[1-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine;hydrochloride
CID 119947677
5-(2-chloroethyl)-3-(2-phenylpropan-2-yl)-1,2,4-oxadiazole
CID 63084325
[1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 115442828
[1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
CID 116740540
2-amino-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63084824
3,3-dimethyl-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349675
[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 115450843
[1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433755

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine (CID 115450902) is [1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine is CC(C)(c1ccccc1)c1noc(C2(CN)CC2)n1.
What is the InChIKey of [1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine?
The InChIKey is NDLXUJAXTSZHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-14(2,11-6-4-3-5-7-11)12-17-13(19-18-12)15(10-16)8-9-15/h3-7H,8-10,16H2,1-2H3.
What are the key properties of [1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine?
[1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine has a molecular weight of 257.34 g/mol, XLogP of 2.39, 4 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]cyclopropyl]methanamine is sourced from PubChem (CID 115450902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).