2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine

C9H17N3O2 — CID 65094639

IUPAC2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
SMILESCNCCc1nc(CCCOC)no1
InChIInChI=1S/C9H17N3O2/c1-10-6-5-9-11-8(12-14-9)4-3-7-13-2/h10H,3-7H2,1-2H3
InChIKeyHKQBWMMRCYLUKO-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.41
Rot. Bonds7

About 2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine

2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine (PubChem CID 65094639) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
PubChem CID65094639
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
SMILESCNCCc1nc(CCCOC)no1
InChIInChI=1S/C9H17N3O2/c1-10-6-5-9-11-8(12-14-9)4-3-7-13-2/h10H,3-7H2,1-2H3
InChIKeyHKQBWMMRCYLUKO-UHFFFAOYSA-N
XLogP0.41
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 65093589
2-[5-[2-(methylamino)ethyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 174282518
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 65095005
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65093742
1,1-difluoro-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 65093584
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 82688702
1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65093902
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 43152043
5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 61412908
N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 53211498
2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 61412753
4-chloro-N-[[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65094649

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The IUPAC name of 2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine (CID 65094639) is 2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine is CNCCc1nc(CCCOC)no1.
What is the InChIKey of 2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The InChIKey is HKQBWMMRCYLUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-10-6-5-9-11-8(12-14-9)4-3-7-13-2/h10H,3-7H2,1-2H3.
What are the key properties of 2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine has a molecular weight of 199.25 g/mol, XLogP of 0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 65094639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).