5-(2,4-dimethoxy-3-methylphenyl)-N-methyl-1,3-oxazol-2-amine

C13H16N2O3 — CID 116832377

IUPAC5-(2,4-dimethoxy-3-methylphenyl)-N-methyl-1,3-oxazol-2-amine
SMILESCNc1ncc(-c2ccc(OC)c(C)c2OC)o1
InChIInChI=1S/C13H16N2O3/c1-8-10(16-3)6-5-9(12(8)17-4)11-7-15-13(14-2)18-11/h5-7H,1-4H3,(H,14,15)
InChIKeyGNXVWMDZAGSLIL-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.71
Rot. Bonds4

About 5-(2,4-dimethoxy-3-methylphenyl)-N-methyl-1,3-oxazol-2-amine

5-(2,4-dimethoxy-3-methylphenyl)-N-methyl-1,3-oxazol-2-amine (PubChem CID 116832377) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-(2,4-dimethoxy-3-methylphenyl)-N-methyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(2,4-dimethoxy-3-methylphenyl)-N-methyl-1,3-oxazol-2-amine
PubChem CID116832377
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name5-(2,4-dimethoxy-3-methylphenyl)-N-methyl-1,3-oxazol-2-amine
SMILESCNc1ncc(-c2ccc(OC)c(C)c2OC)o1
InChIInChI=1S/C13H16N2O3/c1-8-10(16-3)6-5-9(12(8)17-4)11-7-15-13(14-2)18-11/h5-7H,1-4H3,(H,14,15)
InChIKeyGNXVWMDZAGSLIL-UHFFFAOYSA-N
XLogP2.71
TPSA56.52 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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,4-dimethoxy-6-methylphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832415
4-(2,4-dimethoxy-3-methylphenyl)-N-methylpyrimidin-2-amine
CID 116900544
5-(2,4-dimethoxy-3-methylphenyl)-N,1-dimethylpyrazol-3-amine
CID 116827447
5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole
CID 116869160
[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine
CID 82480208
1-[6-(2,4-dimethoxy-3-methylphenyl)pyridazin-3-yl]-N-methylmethanamine
CID 95475627
2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole
CID 116968047
2-(2,4-dimethoxy-3-methylphenyl)-4-methyl-1,3-oxazole-5-carboxylic acid
CID 98020629
1-[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-4-yl]ethanone
CID 82302163
chloro-tris(2,4-dimethoxy-3-methylphenyl)silane
CID 88962777
5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazole-2-carboxylic acid
CID 116878527
2-[5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazol-2-yl]ethanol
CID 116878374

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxy-3-methylphenyl)-N-methyl-1,3-oxazol-2-amine?
The IUPAC name of 5-(2,4-dimethoxy-3-methylphenyl)-N-methyl-1,3-oxazol-2-amine (CID 116832377) is 5-(2,4-dimethoxy-3-methylphenyl)-N-methyl-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(2,4-dimethoxy-3-methylphenyl)-N-methyl-1,3-oxazol-2-amine?
The canonical SMILES for 5-(2,4-dimethoxy-3-methylphenyl)-N-methyl-1,3-oxazol-2-amine is CNc1ncc(-c2ccc(OC)c(C)c2OC)o1.
What is the InChIKey of 5-(2,4-dimethoxy-3-methylphenyl)-N-methyl-1,3-oxazol-2-amine?
The InChIKey is GNXVWMDZAGSLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-10(16-3)6-5-9(12(8)17-4)11-7-15-13(14-2)18-11/h5-7H,1-4H3,(H,14,15).
What are the key properties of 5-(2,4-dimethoxy-3-methylphenyl)-N-methyl-1,3-oxazol-2-amine?
5-(2,4-dimethoxy-3-methylphenyl)-N-methyl-1,3-oxazol-2-amine has a molecular weight of 248.28 g/mol, XLogP of 2.71, 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)-N-methyl-1,3-oxazol-2-amine is sourced from PubChem (CID 116832377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).