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

C15H20N2O3 — CID 63063411

IUPAC2-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(OCc2cc(C)on2)cc1
InChIInChI=1S/C15H20N2O3/c1-12-9-14(17-20-12)11-19-15-5-3-13(4-6-15)10-16-7-8-18-2/h3-6,9,16H,7-8,10-11H2,1-2H3
InChIKeyBIYIRMNZQCOHAA-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.30
Rot. Bonds8

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

2-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 63063411) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID63063411
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(OCc2cc(C)on2)cc1
InChIInChI=1S/C15H20N2O3/c1-12-9-14(17-20-12)11-19-15-5-3-13(4-6-15)10-16-7-8-18-2/h3-6,9,16H,7-8,10-11H2,1-2H3
InChIKeyBIYIRMNZQCOHAA-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-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 63057932
2-methoxy-N-[[5-[(5-methyl-1,2-oxazol-3-yl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79794476
N-[[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]propan-1-amine
CID 66157018
N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63063586
2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
N-[[4-[(3-bromophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 63063568
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 39438794
1-[5-[[4-(2-methoxyethyl)phenoxy]methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62485184
N-[[4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]propan-1-amine
CID 60880636
N-[[4-(2-ethylbutoxy)phenyl]methyl]-2-methoxyethanamine
CID 82927436
ethane;3-(5-methoxypentoxymethyl)-5-methyl-1,2-oxazole
CID 142597075
N-ethyl-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]ethanamine
CID 62337039

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine (CID 63063411) is 2-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine is COCCNCc1ccc(OCc2cc(C)on2)cc1.
What is the InChIKey of 2-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is BIYIRMNZQCOHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-12-9-14(17-20-12)11-19-15-5-3-13(4-6-15)10-16-7-8-18-2/h3-6,9,16H,7-8,10-11H2,1-2H3.
What are the key properties of 2-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine?
2-methoxy-N-[[4-[(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-[[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 63063411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).