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

C8H15N3O — CID 43152043

IUPAC3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
SMILESCCc1noc(CCCNC)n1
InChIInChI=1S/C8H15N3O/c1-3-7-10-8(12-11-7)5-4-6-9-2/h9H,3-6H2,1-2H3
InChIKeyZKNPCILHFXUVNJ-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.78
Rot. Bonds5

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

3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine (PubChem CID 43152043) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
PubChem CID43152043
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
SMILESCCc1noc(CCCNC)n1
InChIInChI=1S/C8H15N3O/c1-3-7-10-8(12-11-7)5-4-6-9-2/h9H,3-6H2,1-2H3
InChIKeyZKNPCILHFXUVNJ-UHFFFAOYSA-N
XLogP0.78
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-Methyl-1,2,4-oxadiazol-5-yl)propan-1-amine hydrochloride
CID 50988191
2-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 28275451
(5-Ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 17604983
2-(5-(Propan-2-yl)-1,2,4-oxadiazol-3-yl)ethan-1-amine
CID 17604997
4-(3-(Propan-2-yl)-1,2,4-oxadiazol-5-yl)piperidine
CID 24208845
5-Ethyl-N-methyl-1,2,4-oxadiazole-3-methanamine, [(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl](methyl)amine
CID 28063889
3-Methyl-5-(pyrrolidin-3-yl)-1,2,4-oxadiazole
CID 44721344
4-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidine hydrochloride
CID 45791888
2-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)ethan-1-amine hydrochloride
CID 50998510
3-Methyl-5-(pyrrolidin-3-yl)-1,2,4-oxadiazole hydrochloride
CID 53400826
4-(3-Isopropyl-1,2,4-oxadiazol-5-YL)piperidine hydrochloride
CID 53400827
4-Methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine hydrochloride
CID 71298861

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine (CID 43152043) is 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine is CCc1noc(CCCNC)n1.
What is the InChIKey of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine?
The InChIKey is ZKNPCILHFXUVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-7-10-8(12-11-7)5-4-6-9-2/h9H,3-6H2,1-2H3.
What are the key properties of 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine?
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine has a molecular weight of 169.23 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 43152043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).