2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride

C13H18ClN3O3 — CID 119947767

IUPAC2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride
SMILESCOCCNCc1nc(-c2ccccc2OC)no1.Cl
InChIInChI=1S/C13H17N3O3.ClH/c1-17-8-7-14-9-12-15-13(16-19-12)10-5-3-4-6-11(10)18-2;/h3-6,14H,7-9H2,1-2H3;1H
InChIKeyZKNFSNNJUZDWQA-UHFFFAOYSA-N
MW299.76 g/mol
LogP1.90
Rot. Bonds7

About 2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride

2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride (PubChem CID 119947767) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride
PubChem CID119947767
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride
SMILESCOCCNCc1nc(-c2ccccc2OC)no1.Cl
InChIInChI=1S/C13H17N3O3.ClH/c1-17-8-7-14-9-12-15-13(16-19-12)10-5-3-4-6-11(10)18-2;/h3-6,14H,7-9H2,1-2H3;1H
InChIKeyZKNFSNNJUZDWQA-UHFFFAOYSA-N
XLogP1.90
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 51.90
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

2-methoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60646666
N-[[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
CID 63757774
N-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 115279659
2-methoxy-N-[(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 63771663
2-methoxy-N-[(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 63758119
N-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
CID 63757605
N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide
CID 4973301
N-[[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
CID 120893530
1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79846588
N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide
CID 110324093
4-fluoro-N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 4976328
N-[[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 137076816

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride?
The IUPAC name of 2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride (CID 119947767) is 2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride?
The canonical SMILES for 2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride is COCCNCc1nc(-c2ccccc2OC)no1.Cl.
What is the InChIKey of 2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride?
The InChIKey is ZKNFSNNJUZDWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3.ClH/c1-17-8-7-14-9-12-15-13(16-19-12)10-5-3-4-6-11(10)18-2;/h3-6,14H,7-9H2,1-2H3;1H.
What are the key properties of 2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride?
2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride has a molecular weight of 299.76 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 119947767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).