2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine

C17H25N3O — CID 63892213

IUPAC2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine
SMILESCCNC(Cc1nc(CC(C)(C)C)no1)c1ccccc1
InChIInChI=1S/C17H25N3O/c1-5-18-14(13-9-7-6-8-10-13)11-16-19-15(20-21-16)12-17(2,3)4/h6-10,14,18H,5,11-12H2,1-4H3
InChIKeyQIAGUMVSNOQOKP-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.55
Rot. Bonds6

About 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine

2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine (PubChem CID 63892213) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine
PubChem CID63892213
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine
SMILESCCNC(Cc1nc(CC(C)(C)C)no1)c1ccccc1
InChIInChI=1S/C17H25N3O/c1-5-18-14(13-9-7-6-8-10-13)11-16-19-15(20-21-16)12-17(2,3)4/h6-10,14,18H,5,11-12H2,1-4H3
InChIKeyQIAGUMVSNOQOKP-UHFFFAOYSA-N
XLogP3.55
TPSA50.95 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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 63352343
N-[2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethyl]propan-1-amine
CID 65130030
1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 63892399
2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylethanamine
CID 65130327
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylethanamine
CID 79086484
N-methyl-1-phenyl-2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65134246
1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 63892002
N-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 63891054
1-phenyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349417
N-methyl-1-phenyl-2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 63349001
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-ethyl-1-phenylethanamine
CID 62366190
(2S)-2-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine
CID 104916121

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine?
The IUPAC name of 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine (CID 63892213) is 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine.
What is the SMILES notation for 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine?
The canonical SMILES for 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine is CCNC(Cc1nc(CC(C)(C)C)no1)c1ccccc1.
What is the InChIKey of 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine?
The InChIKey is QIAGUMVSNOQOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-18-14(13-9-7-6-8-10-13)11-16-19-15(20-21-16)12-17(2,3)4/h6-10,14,18H,5,11-12H2,1-4H3.
What are the key properties of 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine?
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine has a molecular weight of 287.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-1-phenylethanamine is sourced from PubChem (CID 63892213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).