2-methoxy-N-[[5-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]ethanamine

C13H17N3O3 — CID 79794391

IUPAC2-methoxy-N-[[5-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]ethanamine
SMILESCOCCNCc1ccc(OCc2ccno2)cn1
InChIInChI=1S/C13H17N3O3/c1-17-7-6-14-8-11-2-3-12(9-15-11)18-10-13-4-5-16-19-13/h2-5,9,14H,6-8,10H2,1H3
InChIKeyKDZNFFFQESSZFP-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.38
Rot. Bonds8

About 2-methoxy-N-[[5-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]ethanamine

2-methoxy-N-[[5-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]ethanamine (PubChem CID 79794391) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-methoxy-N-[[5-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[5-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]ethanamine
PubChem CID79794391
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-methoxy-N-[[5-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]ethanamine
SMILESCOCCNCc1ccc(OCc2ccno2)cn1
InChIInChI=1S/C13H17N3O3/c1-17-7-6-14-8-11-2-3-12(9-15-11)18-10-13-4-5-16-19-13/h2-5,9,14H,6-8,10H2,1H3
InChIKeyKDZNFFFQESSZFP-UHFFFAOYSA-N
XLogP1.38
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.38
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-[[5-(pyridin-4-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79794479
2-methoxy-N-[(5-methoxy-2-pyridinyl)methyl]ethanamine
CID 79794826
2-methoxy-N-[[5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79794476
2-methoxy-N-[[5-[(2-methylphenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79789244
N-[(5-butoxy-2-pyridinyl)methyl]-2-methoxyethanamine
CID 79793851
N-[[5-[(5-bromo-2-pyridinyl)methoxy]-2-pyridinyl]methyl]-2-methoxyethanamine
CID 104796402
N-[[5-(difluoromethoxy)-2-pyridinyl]methyl]-2-methoxyethanamine
CID 79793947
2-methoxy-N-[[5-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79789500
6-[[6-[(2-methoxyethylamino)methyl]-3-pyridinyl]oxy]hexan-1-ol
CID 107702731
N-[[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107689166
N-[[5-fluoro-2-(1,2-oxazol-5-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107696919
N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methoxyethanamine
CID 79794829

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[5-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]ethanamine (CID 79794391) is 2-methoxy-N-[[5-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[5-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[5-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]ethanamine is COCCNCc1ccc(OCc2ccno2)cn1.
What is the InChIKey of 2-methoxy-N-[[5-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]ethanamine?
The InChIKey is KDZNFFFQESSZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-17-7-6-14-8-11-2-3-12(9-15-11)18-10-13-4-5-16-19-13/h2-5,9,14H,6-8,10H2,1H3.
What are the key properties of 2-methoxy-N-[[5-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]ethanamine?
2-methoxy-N-[[5-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]ethanamine has a molecular weight of 263.30 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-(1,2-oxazol-5-ylmethoxy)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 79794391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).