2-[3-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine

C13H16N2O3 — CID 54930681

IUPAC2-[3-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine
SMILESCOc1cccc(CCN)c1OCc1cnoc1
InChIInChI=1S/C13H16N2O3/c1-16-12-4-2-3-11(5-6-14)13(12)17-8-10-7-15-18-9-10/h2-4,7,9H,5-6,8,14H2,1H3
InChIKeyATBUQGXZCBYKPC-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.76
Rot. Bonds6

About 2-[3-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine

2-[3-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine (PubChem CID 54930681) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[3-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine
PubChem CID54930681
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[3-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine
SMILESCOc1cccc(CCN)c1OCc1cnoc1
InChIInChI=1S/C13H16N2O3/c1-16-12-4-2-3-11(5-6-14)13(12)17-8-10-7-15-18-9-10/h2-4,7,9H,5-6,8,14H2,1H3
InChIKeyATBUQGXZCBYKPC-UHFFFAOYSA-N
XLogP1.76
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
CID 63987113
2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935375
2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104648792
2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 20993640
2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 61482172
2-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 103013018
2-[3-methoxy-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64772454
2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60904969
3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propan-1-amine
CID 170867827
2-[3-methoxy-2-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
CID 22680814
2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20986801
2-[3-ethoxy-2-[(4-iodophenyl)methoxy]phenyl]ethanamine
CID 65476906

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine (CID 54930681) is 2-[3-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine is COc1cccc(CCN)c1OCc1cnoc1.
What is the InChIKey of 2-[3-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine?
The InChIKey is ATBUQGXZCBYKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-16-12-4-2-3-11(5-6-14)13(12)17-8-10-7-15-18-9-10/h2-4,7,9H,5-6,8,14H2,1H3.
What are the key properties of 2-[3-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine?
2-[3-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine has a molecular weight of 248.28 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 54930681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).