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

C13H15ClN2O2 — CID 82304626

IUPAC2-[4-(5-chloro-2-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCOc1cc(C)c(Cl)cc1-c1coc(CCN)n1
InChIInChI=1S/C13H15ClN2O2/c1-8-5-12(17-2)9(6-10(8)14)11-7-18-13(16-11)3-4-15/h5-7H,3-4,15H2,1-2H3
InChIKeyWRZYLKHRPLTICS-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.81
Rot. Bonds4

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

2-[4-(5-chloro-2-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 82304626) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID82304626
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name2-[4-(5-chloro-2-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCOc1cc(C)c(Cl)cc1-c1coc(CCN)n1
InChIInChI=1S/C13H15ClN2O2/c1-8-5-12(17-2)9(6-10(8)14)11-7-18-13(16-11)3-4-15/h5-7H,3-4,15H2,1-2H3
InChIKeyWRZYLKHRPLTICS-UHFFFAOYSA-N
XLogP2.81
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.81
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-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82285403
2-[4-(4-methoxy-3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82289585
6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine
CID 82303503
4-(5-chloro-2-methoxy-4-methylphenyl)-2,6-dimethylpyrimidin-5-amine
CID 98021439
2-[5-(5-chloro-2-methoxy-4-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82304273
2-[2-(2-methoxy-4,5-dimethylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 82479428
4-(5-chloro-4-methoxy-2-methylphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832501
2-[4-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 105454374
4-(5-chloro-2-methoxy-4-methylphenyl)-5-methylthiophen-2-amine
CID 82487478
4-(4-chloro-2-methoxy-5-methylphenyl)aniline
CID 82039615
2-(4-chloro-5-methoxy-2-methylphenyl)ethanamine
CID 59994499

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(5-chloro-2-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]ethanamine (CID 82304626) is 2-[4-(5-chloro-2-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-chloro-2-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(5-chloro-2-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]ethanamine is COc1cc(C)c(Cl)cc1-c1coc(CCN)n1.
What is the InChIKey of 2-[4-(5-chloro-2-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is WRZYLKHRPLTICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-8-5-12(17-2)9(6-10(8)14)11-7-18-13(16-11)3-4-15/h5-7H,3-4,15H2,1-2H3.
What are the key properties of 2-[4-(5-chloro-2-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]ethanamine?
2-[4-(5-chloro-2-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 266.73 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 82304626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).