2-(3-methoxypropoxy)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

C10H19N3O3 — CID 103178672

IUPAC2-(3-methoxypropoxy)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCOCCCOCCNCc1nc(C)no1
InChIInChI=1S/C10H19N3O3/c1-9-12-10(16-13-9)8-11-4-7-15-6-3-5-14-2/h11H,3-8H2,1-2H3
InChIKeyTUYVNLUWCHXPQW-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.52
Rot. Bonds9

About 2-(3-methoxypropoxy)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

2-(3-methoxypropoxy)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 103178672) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-methoxypropoxy)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID103178672
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-(3-methoxypropoxy)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCOCCCOCCNCc1nc(C)no1
InChIInChI=1S/C10H19N3O3/c1-9-12-10(16-13-9)8-11-4-7-15-6-3-5-14-2/h11H,3-8H2,1-2H3
InChIKeyTUYVNLUWCHXPQW-UHFFFAOYSA-N
XLogP0.52
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 82594465
N-ethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethanamine
CID 62337220
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 106372748
1-(2-butoxyethoxy)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol
CID 61013891
2-methoxy-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 82007472
1-[4-(methoxymethyl)phenyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 60977325
2-ethylsulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 61013517
2-methoxy-N-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116703910
1-(3-methoxypropyl)-2-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 110976051
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
CID 155238388
N-[[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63056676
N-[[2-chloro-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 114320180

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-(3-methoxypropoxy)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 103178672) is 2-(3-methoxypropoxy)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(3-methoxypropoxy)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(3-methoxypropoxy)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is COCCCOCCNCc1nc(C)no1.
What is the InChIKey of 2-(3-methoxypropoxy)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is TUYVNLUWCHXPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-9-12-10(16-13-9)8-11-4-7-15-6-3-5-14-2/h11H,3-8H2,1-2H3.
What are the key properties of 2-(3-methoxypropoxy)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
2-(3-methoxypropoxy)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 229.28 g/mol, XLogP of 0.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 103178672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).