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

C12H21N3O4 — CID 116742001

IUPAC2-methoxy-N-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1nc(C2(OC)CCOCC2)no1
InChIInChI=1S/C12H21N3O4/c1-16-8-5-13-9-10-14-11(15-19-10)12(17-2)3-6-18-7-4-12/h13H,3-9H2,1-2H3
InChIKeyGGANJQJXCGYURB-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.46
Rot. Bonds7

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

2-methoxy-N-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 116742001) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-methoxy-N-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID116742001
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-methoxy-N-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1nc(C2(OC)CCOCC2)no1
InChIInChI=1S/C12H21N3O4/c1-16-8-5-13-9-10-14-11(15-19-10)12(17-2)3-6-18-7-4-12/h13H,3-9H2,1-2H3
InChIKeyGGANJQJXCGYURB-UHFFFAOYSA-N
XLogP0.46
TPSA78.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116742308
1-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 116742003
3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 116742083
1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 104609708
N-[[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 104693275
1,1-difluoro-3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116780737
N-ethyl-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116781279
N-[[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
CID 116742319
3-(4-methoxyoxan-4-yl)-5-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazole
CID 100677041
2-methoxy-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 82007472
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 104609587
3-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116781274

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 116742001) is 2-methoxy-N-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is COCCNCc1nc(C2(OC)CCOCC2)no1.
What is the InChIKey of 2-methoxy-N-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is GGANJQJXCGYURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-16-8-5-13-9-10-14-11(15-19-10)12(17-2)3-6-18-7-4-12/h13H,3-9H2,1-2H3.
What are the key properties of 2-methoxy-N-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 271.32 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 116742001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).