2-methoxy-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine

C12H15N3O2 — CID 65237710

IUPAC2-methoxy-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine
SMILESCOCCNCc1cnoc1-c1ccncc1
InChIInChI=1S/C12H15N3O2/c1-16-7-6-14-8-11-9-15-17-12(11)10-2-4-13-5-3-10/h2-5,9,14H,6-8H2,1H3
InChIKeyAWABZRQYLURTRI-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.47
Rot. Bonds6

About 2-methoxy-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine

2-methoxy-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine (PubChem CID 65237710) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-methoxy-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine
PubChem CID65237710
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-methoxy-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine
SMILESCOCCNCc1cnoc1-c1ccncc1
InChIInChI=1S/C12H15N3O2/c1-16-7-6-14-8-11-9-15-17-12(11)10-2-4-13-5-3-10/h2-5,9,14H,6-8H2,1H3
InChIKeyAWABZRQYLURTRI-UHFFFAOYSA-N
XLogP1.47
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.47
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine (CID 65237710) is 2-methoxy-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine is COCCNCc1cnoc1-c1ccncc1.
What is the InChIKey of 2-methoxy-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine?
The InChIKey is AWABZRQYLURTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-16-7-6-14-8-11-9-15-17-12(11)10-2-4-13-5-3-10/h2-5,9,14H,6-8H2,1H3.
What are the key properties of 2-methoxy-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine?
2-methoxy-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine has a molecular weight of 233.27 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(5-pyridin-4-yl-1,2-oxazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 65237710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).