5-(2-methoxy-3,5-dimethylphenyl)-3-methyl-1,2-oxazole

C13H15NO2 — CID 116868943

IUPAC5-(2-methoxy-3,5-dimethylphenyl)-3-methyl-1,2-oxazole
SMILESCOc1c(C)cc(C)cc1-c1cc(C)no1
InChIInChI=1S/C13H15NO2/c1-8-5-9(2)13(15-4)11(6-8)12-7-10(3)14-16-12/h5-7H,1-4H3
InChIKeyJBEUPAQQLHFERA-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.28
Rot. Bonds2

About 5-(2-methoxy-3,5-dimethylphenyl)-3-methyl-1,2-oxazole

5-(2-methoxy-3,5-dimethylphenyl)-3-methyl-1,2-oxazole (PubChem CID 116868943) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-(2-methoxy-3,5-dimethylphenyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(2-methoxy-3,5-dimethylphenyl)-3-methyl-1,2-oxazole
PubChem CID116868943
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name5-(2-methoxy-3,5-dimethylphenyl)-3-methyl-1,2-oxazole
SMILESCOc1c(C)cc(C)cc1-c1cc(C)no1
InChIInChI=1S/C13H15NO2/c1-8-5-9(2)13(15-4)11(6-8)12-7-10(3)14-16-12/h5-7H,1-4H3
InChIKeyJBEUPAQQLHFERA-UHFFFAOYSA-N
XLogP3.28
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-3,5-dimethylphenyl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(2-methoxy-3,5-dimethylphenyl)-3-methyl-1,2-oxazole (CID 116868943) is 5-(2-methoxy-3,5-dimethylphenyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(2-methoxy-3,5-dimethylphenyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(2-methoxy-3,5-dimethylphenyl)-3-methyl-1,2-oxazole is COc1c(C)cc(C)cc1-c1cc(C)no1.
What is the InChIKey of 5-(2-methoxy-3,5-dimethylphenyl)-3-methyl-1,2-oxazole?
The InChIKey is JBEUPAQQLHFERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8-5-9(2)13(15-4)11(6-8)12-7-10(3)14-16-12/h5-7H,1-4H3.
What are the key properties of 5-(2-methoxy-3,5-dimethylphenyl)-3-methyl-1,2-oxazole?
5-(2-methoxy-3,5-dimethylphenyl)-3-methyl-1,2-oxazole has a molecular weight of 217.27 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-3,5-dimethylphenyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 116868943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).