2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpropan-2-amine

C9H17N3O — CID 123866100

IUPAC2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpropan-2-amine
SMILESCCc1noc(C(C)(C)N(C)C)n1
InChIInChI=1S/C9H17N3O/c1-6-7-10-8(13-11-7)9(2,3)12(4)5/h6H2,1-5H3
InChIKeyJGLLTWXIGXFNDH-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.43
Rot. Bonds3

About 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpropan-2-amine

2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpropan-2-amine (PubChem CID 123866100) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpropan-2-amine
PubChem CID123866100
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpropan-2-amine
SMILESCCc1noc(C(C)(C)N(C)C)n1
InChIInChI=1S/C9H17N3O/c1-6-7-10-8(13-11-7)9(2,3)12(4)5/h6H2,1-5H3
InChIKeyJGLLTWXIGXFNDH-UHFFFAOYSA-N
XLogP1.43
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,1-dichloroethyl)-3-ethyl-1,2,4-oxadiazole
CID 130668193
2-[5-[2-(dimethylamino)propan-2-yl]-1,2,4-oxadiazol-3-yl]ethylcarbamic acid
CID 68754902
5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole
CID 58059649
[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 62677703
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62022852
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-2-amine
CID 64671837
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-propylamino]ethanol
CID 60775229
5-tert-butyl-3-(fluoromethyl)-1,2,4-oxadiazole
CID 176864350
(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanethiol
CID 151668705
[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]methanol
CID 103020801
5-[(2S)-butan-2-yl]-3-ethyl-1,2,4-oxadiazole
CID 143984841
2-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-N,N,2-trimethylpropan-1-amine;dihydrochloride
CID 68755382

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpropan-2-amine?
The IUPAC name of 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpropan-2-amine (CID 123866100) is 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpropan-2-amine?
The canonical SMILES for 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpropan-2-amine is CCc1noc(C(C)(C)N(C)C)n1.
What is the InChIKey of 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpropan-2-amine?
The InChIKey is JGLLTWXIGXFNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-6-7-10-8(13-11-7)9(2,3)12(4)5/h6H2,1-5H3.
What are the key properties of 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpropan-2-amine?
2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpropan-2-amine has a molecular weight of 183.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 123866100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).