3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine

C15H22N4O — CID 115345379

IUPAC3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
SMILESCN(C)CCc1noc(CCC(N)c2ccccc2)n1
InChIInChI=1S/C15H22N4O/c1-19(2)11-10-14-17-15(20-18-14)9-8-13(16)12-6-4-3-5-7-12/h3-7,13H,8-11,16H2,1-2H3
InChIKeyXWADVFNYABMHCR-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.81
Rot. Bonds7

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

3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine (PubChem CID 115345379) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
PubChem CID115345379
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
SMILESCN(C)CCc1noc(CCC(N)c2ccccc2)n1
InChIInChI=1S/C15H22N4O/c1-19(2)11-10-14-17-15(20-18-14)9-8-13(16)12-6-4-3-5-7-12/h3-7,13H,8-11,16H2,1-2H3
InChIKeyXWADVFNYABMHCR-UHFFFAOYSA-N
XLogP1.81
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 54978293
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 79613895
N-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 113291071
1-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 60837559
3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine
CID 79962025
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 115345411
1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115345334
1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 115345398
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 55137085
2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 115345512
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylethanamine
CID 79086484

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine?
The IUPAC name of 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine (CID 115345379) is 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine.
What is the SMILES notation for 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine?
The canonical SMILES for 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine is CN(C)CCc1noc(CCC(N)c2ccccc2)n1.
What is the InChIKey of 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine?
The InChIKey is XWADVFNYABMHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-19(2)11-10-14-17-15(20-18-14)9-8-13(16)12-6-4-3-5-7-12/h3-7,13H,8-11,16H2,1-2H3.
What are the key properties of 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine?
3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine has a molecular weight of 274.37 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-amine is sourced from PubChem (CID 115345379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).