[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine

C13H16N2O3 — CID 82480208

IUPAC[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine
SMILESCOc1ccc(-c2cc(CN)no2)c(OC)c1C
InChIInChI=1S/C13H16N2O3/c1-8-11(16-2)5-4-10(13(8)17-3)12-6-9(7-14)15-18-12/h4-6H,7,14H2,1-3H3
InChIKeyDOPSOJMFIOOSDO-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.13
Rot. Bonds4

About [5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine

[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine (PubChem CID 82480208) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is [5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine
PubChem CID82480208
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine
SMILESCOc1ccc(-c2cc(CN)no2)c(OC)c1C
InChIInChI=1S/C13H16N2O3/c1-8-11(16-2)5-4-10(13(8)17-3)12-6-9(7-14)15-18-12/h4-6H,7,14H2,1-3H3
InChIKeyDOPSOJMFIOOSDO-UHFFFAOYSA-N
XLogP2.13
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazol-3-yl]ethanamine
CID 82479464
[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine
CID 82472973
[5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82485187
5-(2,4-dimethoxy-3-methylsulfanylphenyl)-1,2-oxazol-3-amine
CID 117419900
5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117389690
[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methanamine
CID 28808393
2-[2-(2,4-dimethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 96666077
[4-(2,4-dimethoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 82302244
[4-(2,4-dimethoxy-3-methylphenyl)-5-methylthiophen-3-yl]methanamine
CID 98021222
2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine
CID 96665567
[4-(4-methoxy-2,3-dimethylphenyl)-6-methylpyrimidin-2-yl]methanamine
CID 82300078
5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole
CID 116869160

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine (CID 82480208) is [5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine is COc1ccc(-c2cc(CN)no2)c(OC)c1C.
What is the InChIKey of [5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine?
The InChIKey is DOPSOJMFIOOSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-11(16-2)5-4-10(13(8)17-3)12-6-9(7-14)15-18-12/h4-6H,7,14H2,1-3H3.
What are the key properties of [5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine?
[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine has a molecular weight of 248.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 82480208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).