5-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazole

C13H15NO3 — CID 116868886

IUPAC5-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazole
SMILESCOc1cc(-c2ccno2)c(OC)c(C)c1C
InChIInChI=1S/C13H15NO3/c1-8-9(2)13(16-4)10(7-12(8)15-3)11-5-6-14-17-11/h5-7H,1-4H3
InChIKeyDHQCOUFTWUINIV-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.98
Rot. Bonds3

About 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazole

5-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazole (PubChem CID 116868886) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazole
PubChem CID116868886
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name5-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazole
SMILESCOc1cc(-c2ccno2)c(OC)c(C)c1C
InChIInChI=1S/C13H15NO3/c1-8-9(2)13(16-4)10(7-12(8)15-3)11-5-6-14-17-11/h5-7H,1-4H3
InChIKeyDHQCOUFTWUINIV-UHFFFAOYSA-N
XLogP2.98
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxy-2,5-dimethylphenyl)-1,2-oxazole
CID 116868805
5-(2,5-dimethoxyphenyl)-1,2-oxazole
CID 65240254
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
5-(2,5-dimethoxy-3,4-dimethylphenyl)-1,3-dimethylpyrazole
CID 116856836
5-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole
CID 116868801
5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazol-2-amine
CID 116879386
4-(2,5-dimethoxy-3,4-dimethylphenyl)pyrimidine-2-carbonitrile
CID 116900932
5-(8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-1,2-oxazole
CID 22493440
5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole
CID 116869160
5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole
CID 116868799
[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine
CID 82480208
5-(2,5-dimethoxy-3,4-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117469018

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazole?
The IUPAC name of 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazole (CID 116868886) is 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazole?
The canonical SMILES for 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazole is COc1cc(-c2ccno2)c(OC)c(C)c1C.
What is the InChIKey of 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazole?
The InChIKey is DHQCOUFTWUINIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-9(2)13(16-4)10(7-12(8)15-3)11-5-6-14-17-11/h5-7H,1-4H3.
What are the key properties of 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazole?
5-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazole has a molecular weight of 233.27 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazole is sourced from PubChem (CID 116868886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).