5-(2,4-dimethoxy-6-methylphenyl)-N-methyl-1,3-oxazol-2-amine

C13H16N2O3 — CID 116832415

IUPAC5-(2,4-dimethoxy-6-methylphenyl)-N-methyl-1,3-oxazol-2-amine
SMILESCNc1ncc(-c2c(C)cc(OC)cc2OC)o1
InChIInChI=1S/C13H16N2O3/c1-8-5-9(16-3)6-10(17-4)12(8)11-7-15-13(14-2)18-11/h5-7H,1-4H3,(H,14,15)
InChIKeyRDMXARQHEDNKAF-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.71
Rot. Bonds4

About 5-(2,4-dimethoxy-6-methylphenyl)-N-methyl-1,3-oxazol-2-amine

5-(2,4-dimethoxy-6-methylphenyl)-N-methyl-1,3-oxazol-2-amine (PubChem CID 116832415) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-(2,4-dimethoxy-6-methylphenyl)-N-methyl-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(2,4-dimethoxy-6-methylphenyl)-N-methyl-1,3-oxazol-2-amine
PubChem CID116832415
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name5-(2,4-dimethoxy-6-methylphenyl)-N-methyl-1,3-oxazol-2-amine
SMILESCNc1ncc(-c2c(C)cc(OC)cc2OC)o1
InChIInChI=1S/C13H16N2O3/c1-8-5-9(16-3)6-10(17-4)12(8)11-7-15-13(14-2)18-11/h5-7H,1-4H3,(H,14,15)
InChIKeyRDMXARQHEDNKAF-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

Analyze 5-(2,4-dimethoxy-6-methylphenyl)-N-methyl-1,3-oxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,4-dimethoxy-6-methylphenyl)-3-methyl-1,2-oxazole
CID 116868995
5-(2,4-dimethoxy-3-methylphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832377
5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazole-2-carboxylic acid
CID 82049390
2-[5-(4-methoxy-2,6-dimethylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82049351
[5-(2,4-dimethoxy-6-methylphenyl)-1H-imidazol-2-yl]hydrazine
CID 116884179
4-(2,4-dimethoxy-6-methylphenyl)-2-methoxypyrimidine
CID 116903822
3,5-dimethyl-2,6-bis(2,4,6-trimethoxyphenyl)aniline
CID 102009274
4-(2,4-dimethoxy-6-methylphenyl)-5-ethyl-1,3-oxazol-2-amine
CID 116831957
4-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832537
4-(2,4-dimethoxy-6-methylphenyl)pyrimidin-2-amine
CID 116900504
2-(2,4-dimethoxy-6-methylphenyl)-4-methyl-1,3-thiazole
CID 116891940
2-bromo-4-(2,4-dimethoxy-6-methylphenyl)-6-methylpyrimidine
CID 116897316

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxy-6-methylphenyl)-N-methyl-1,3-oxazol-2-amine?
The IUPAC name of 5-(2,4-dimethoxy-6-methylphenyl)-N-methyl-1,3-oxazol-2-amine (CID 116832415) is 5-(2,4-dimethoxy-6-methylphenyl)-N-methyl-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(2,4-dimethoxy-6-methylphenyl)-N-methyl-1,3-oxazol-2-amine?
The canonical SMILES for 5-(2,4-dimethoxy-6-methylphenyl)-N-methyl-1,3-oxazol-2-amine is CNc1ncc(-c2c(C)cc(OC)cc2OC)o1.
What is the InChIKey of 5-(2,4-dimethoxy-6-methylphenyl)-N-methyl-1,3-oxazol-2-amine?
The InChIKey is RDMXARQHEDNKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-5-9(16-3)6-10(17-4)12(8)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-6-methylphenyl)-N-methyl-1,3-oxazol-2-amine?
5-(2,4-dimethoxy-6-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-6-methylphenyl)-N-methyl-1,3-oxazol-2-amine is sourced from PubChem (CID 116832415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).