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

C15H19N3O — CID 107925222

IUPAC1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
SMILESCC1(C)CC1c1noc(C(N)Cc2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-15(2)9-11(15)13-17-14(19-18-13)12(16)8-10-6-4-3-5-7-10/h3-7,11-12H,8-9,16H2,1-2H3
InChIKeyFTJVFJJPWMXWJR-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.83
Rot. Bonds4

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

1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine (PubChem CID 107925222) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine.

Molecular Properties

Compound Name1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
PubChem CID107925222
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
SMILESCC1(C)CC1c1noc(C(N)Cc2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-15(2)9-11(15)13-17-14(19-18-13)12(16)8-10-6-4-3-5-7-10/h3-7,11-12H,8-9,16H2,1-2H3
InChIKeyFTJVFJJPWMXWJR-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104880761
(1S)-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 103832338
(1S)-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 104902129
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 107925146
1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 79071714
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104880772
(1R)-1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 104902174
(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 2512349
(1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 29052317
(1S)-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 107925138
5-(1-amino-2-phenylethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 18318428
(1R)-2-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104902244

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The IUPAC name of 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine (CID 107925222) is 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine.
What is the SMILES notation for 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The canonical SMILES for 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine is CC1(C)CC1c1noc(C(N)Cc2ccccc2)n1.
What is the InChIKey of 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
The InChIKey is FTJVFJJPWMXWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2)9-11(15)13-17-14(19-18-13)12(16)8-10-6-4-3-5-7-10/h3-7,11-12H,8-9,16H2,1-2H3.
What are the key properties of 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine?
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine is sourced from PubChem (CID 107925222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).