5-(3,5-dimethylphenoxy)-1,3-oxazole

C11H11NO2 — CID 90824960

IUPAC5-(3,5-dimethylphenoxy)-1,3-oxazole
SMILESCc1cc(C)cc(Oc2cnco2)c1
InChIInChI=1S/C11H11NO2/c1-8-3-9(2)5-10(4-8)14-11-6-12-7-13-11/h3-7H,1-2H3
InChIKeyIKDHTDMBOMXQIZ-UHFFFAOYSA-N
MW189.21 g/mol
LogP3.08
Rot. Bonds2

About 5-(3,5-dimethylphenoxy)-1,3-oxazole

5-(3,5-dimethylphenoxy)-1,3-oxazole (PubChem CID 90824960) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 5-(3,5-dimethylphenoxy)-1,3-oxazole.

Molecular Properties

Compound Name5-(3,5-dimethylphenoxy)-1,3-oxazole
PubChem CID90824960
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name5-(3,5-dimethylphenoxy)-1,3-oxazole
SMILESCc1cc(C)cc(Oc2cnco2)c1
InChIInChI=1S/C11H11NO2/c1-8-3-9(2)5-10(4-8)14-11-6-12-7-13-11/h3-7H,1-2H3
InChIKeyIKDHTDMBOMXQIZ-UHFFFAOYSA-N
XLogP3.08
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenoxy)-1,3-oxazole?
The IUPAC name of 5-(3,5-dimethylphenoxy)-1,3-oxazole (CID 90824960) is 5-(3,5-dimethylphenoxy)-1,3-oxazole.
What is the SMILES notation for 5-(3,5-dimethylphenoxy)-1,3-oxazole?
The canonical SMILES for 5-(3,5-dimethylphenoxy)-1,3-oxazole is Cc1cc(C)cc(Oc2cnco2)c1.
What is the InChIKey of 5-(3,5-dimethylphenoxy)-1,3-oxazole?
The InChIKey is IKDHTDMBOMXQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8-3-9(2)5-10(4-8)14-11-6-12-7-13-11/h3-7H,1-2H3.
What are the key properties of 5-(3,5-dimethylphenoxy)-1,3-oxazole?
5-(3,5-dimethylphenoxy)-1,3-oxazole has a molecular weight of 189.21 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenoxy)-1,3-oxazole is sourced from PubChem (CID 90824960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).