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

C13H16N2O2 — CID 82289585

IUPAC2-[4-(4-methoxy-3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCOc1ccc(-c2coc(CCN)n2)cc1C
InChIInChI=1S/C13H16N2O2/c1-9-7-10(3-4-12(9)16-2)11-8-17-13(15-11)5-6-14/h3-4,7-8H,5-6,14H2,1-2H3
InChIKeyFGRVHZXDICPKLK-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.16
Rot. Bonds4

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

2-[4-(4-methoxy-3-methylphenyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 82289585) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[4-(4-methoxy-3-methylphenyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-methoxy-3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID82289585
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[4-(4-methoxy-3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCOc1ccc(-c2coc(CCN)n2)cc1C
InChIInChI=1S/C13H16N2O2/c1-9-7-10(3-4-12(9)16-2)11-8-17-13(15-11)5-6-14/h3-4,7-8H,5-6,14H2,1-2H3
InChIKeyFGRVHZXDICPKLK-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

2-[4-(3-chloro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82298298
2-[4-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 105454374
2-[4-(5-chloro-2-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82304626
2-[4-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82285403
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazol-2-yl]ethanamine
CID 82295111
[6-(4-methoxy-3-methylphenyl)-2-methyl-3-pyridinyl]methanamine
CID 82453407
2-[5-(4-methoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanamine
CID 82289584
4-[3-(aminomethyl)-4-methoxyphenyl]-1,3-oxazol-2-amine
CID 115031242
[6-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]methanamine
CID 83850253
2-[2-(4-ethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 96662741
2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 84608173
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole
CID 82128057

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxy-3-methylphenyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(4-methoxy-3-methylphenyl)-1,3-oxazol-2-yl]ethanamine (CID 82289585) is 2-[4-(4-methoxy-3-methylphenyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-methoxy-3-methylphenyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(4-methoxy-3-methylphenyl)-1,3-oxazol-2-yl]ethanamine is COc1ccc(-c2coc(CCN)n2)cc1C.
What is the InChIKey of 2-[4-(4-methoxy-3-methylphenyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is FGRVHZXDICPKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-7-10(3-4-12(9)16-2)11-8-17-13(15-11)5-6-14/h3-4,7-8H,5-6,14H2,1-2H3.
What are the key properties of 2-[4-(4-methoxy-3-methylphenyl)-1,3-oxazol-2-yl]ethanamine?
2-[4-(4-methoxy-3-methylphenyl)-1,3-oxazol-2-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-[4-(4-methoxy-3-methylphenyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 82289585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).