2-[5-(2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine

C12H14N2O2 — CID 82285402

IUPAC2-[5-(2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine
SMILESCOc1ccccc1-c1oncc1CCN
InChIInChI=1S/C12H14N2O2/c1-15-11-5-3-2-4-10(11)12-9(6-7-13)8-14-16-12/h2-5,8H,6-7,13H2,1H3
InChIKeyJZYNMQBJHYQQPH-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.85
Rot. Bonds4

About 2-[5-(2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine

2-[5-(2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine (PubChem CID 82285402) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[5-(2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine
PubChem CID82285402
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-[5-(2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine
SMILESCOc1ccccc1-c1oncc1CCN
InChIInChI=1S/C12H14N2O2/c1-15-11-5-3-2-4-10(11)12-9(6-7-13)8-14-16-12/h2-5,8H,6-7,13H2,1H3
InChIKeyJZYNMQBJHYQQPH-UHFFFAOYSA-N
XLogP1.85
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine
CID 82308142
2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine
CID 82289584
ethyl 5-(2-methoxyphenyl)-1,2-oxazole-4-carboxylate
CID 22831688
4-(2-methoxyphenyl)-5-phenyl-1,2-oxazole
CID 130439183
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
[5-(2-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-4-yl]methanamine
CID 82295318
2-[2-(2,3-dimethoxyphenyl)phenyl]ethanamine;hydrochloride
CID 69173807
2-[4-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82285403
1-[4-(2-methoxyphenyl)-1,2-oxazol-5-yl]ethanamine
CID 105423275
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115091894
[5-(2-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 82079249
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82290574

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine?
The IUPAC name of 2-[5-(2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine (CID 82285402) is 2-[5-(2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-(2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine is COc1ccccc1-c1oncc1CCN.
What is the InChIKey of 2-[5-(2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine?
The InChIKey is JZYNMQBJHYQQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-15-11-5-3-2-4-10(11)12-9(6-7-13)8-14-16-12/h2-5,8H,6-7,13H2,1H3.
What are the key properties of 2-[5-(2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine?
2-[5-(2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine has a molecular weight of 218.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine is sourced from PubChem (CID 82285402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).