2-methoxy-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine

C15H20N2O3 — CID 63057932

IUPAC2-methoxy-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine
SMILESCOCCNCc1cccc(OCc2cc(C)on2)c1
InChIInChI=1S/C15H20N2O3/c1-12-8-14(17-20-12)11-19-15-5-3-4-13(9-15)10-16-6-7-18-2/h3-5,8-9,16H,6-7,10-11H2,1-2H3
InChIKeyIXYOFFNBJNJQDC-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.30
Rot. Bonds8

About 2-methoxy-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine

2-methoxy-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 63057932) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-methoxy-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID63057932
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-methoxy-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine
SMILESCOCCNCc1cccc(OCc2cc(C)on2)c1
InChIInChI=1S/C15H20N2O3/c1-12-8-14(17-20-12)11-19-15-5-3-4-13(9-15)10-16-6-7-18-2/h3-5,8-9,16H,6-7,10-11H2,1-2H3
InChIKeyIXYOFFNBJNJQDC-UHFFFAOYSA-N
XLogP2.30
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.30
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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Related Compounds

2-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 63063411
2-methoxy-N-[[5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79794476
2-methoxy-N-[[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 63057591
N-[[3-[(3-bromophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63057256
N-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63055892
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]-N-methylmethanamine
CID 66157214
N-[[3-(cyclobutylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 65457089
2-methoxy-N-[[3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63056746
N-[[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-2-amine
CID 66157217
2-methoxy-N-[[3-[3-(oxolan-2-yl)propoxy]phenyl]methyl]ethanamine
CID 65158746
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine (CID 63057932) is 2-methoxy-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine is COCCNCc1cccc(OCc2cc(C)on2)c1.
What is the InChIKey of 2-methoxy-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is IXYOFFNBJNJQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-12-8-14(17-20-12)11-19-15-5-3-4-13(9-15)10-16-6-7-18-2/h3-5,8-9,16H,6-7,10-11H2,1-2H3.
What are the key properties of 2-methoxy-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine?
2-methoxy-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 276.34 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 63057932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).