2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine

C13H16N2O2 — CID 82289584

IUPAC2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine
SMILESCOc1ccc(-c2oncc2CCN)cc1C
InChIInChI=1S/C13H16N2O2/c1-9-7-10(3-4-12(9)16-2)13-11(5-6-14)8-15-17-13/h3-4,7-8H,5-6,14H2,1-2H3
InChIKeySOYORZQHCYEMSS-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.16
Rot. Bonds4

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

2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine (PubChem CID 82289584) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine
PubChem CID82289584
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine
SMILESCOc1ccc(-c2oncc2CCN)cc1C
InChIInChI=1S/C13H16N2O2/c1-9-7-10(3-4-12(9)16-2)13-11(5-6-14)8-15-17-13/h3-4,7-8H,5-6,14H2,1-2H3
InChIKeySOYORZQHCYEMSS-UHFFFAOYSA-N
XLogP2.16
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(3,4-dimethoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82290574
2-[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine
CID 82308142
[5-(3-ethyl-4-methoxyphenyl)-1,2-oxazol-4-yl]methanamine
CID 82289626
2-[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]ethanamine
CID 82287308
2-[5-(2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine
CID 82285402
2-[5-[4-(2-methylpropyl)phenyl]-1,2-oxazol-4-yl]ethanamine
CID 95456693
2-[4-(4-methoxy-3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82289585
2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 84608173
5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 82112667
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82285154
[3-(4-methoxy-3-methylphenyl)-4-methyl-1,2-oxazol-5-yl]methanamine
CID 83850499

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine?
The IUPAC name of 2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine (CID 82289584) is 2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine is COc1ccc(-c2oncc2CCN)cc1C.
What is the InChIKey of 2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine?
The InChIKey is SOYORZQHCYEMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-7-10(3-4-12(9)16-2)13-11(5-6-14)8-15-17-13/h3-4,7-8H,5-6,14H2,1-2H3.
What are the key properties of 2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine?
2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine has a molecular weight of 232.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine is sourced from PubChem (CID 82289584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).