5-(2,5-dimethoxyphenoxy)-1,3-oxazole

C11H11NO4 — CID 141204122

IUPAC5-(2,5-dimethoxyphenoxy)-1,3-oxazole
SMILESCOc1ccc(OC)c(Oc2cnco2)c1
InChIInChI=1S/C11H11NO4/c1-13-8-3-4-9(14-2)10(5-8)16-11-6-12-7-15-11/h3-7H,1-2H3
InChIKeyQHORUHBGYUCETK-UHFFFAOYSA-N
MW221.21 g/mol
LogP2.48
Rot. Bonds4

About 5-(2,5-dimethoxyphenoxy)-1,3-oxazole

5-(2,5-dimethoxyphenoxy)-1,3-oxazole (PubChem CID 141204122) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenoxy)-1,3-oxazole.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenoxy)-1,3-oxazole
PubChem CID141204122
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name5-(2,5-dimethoxyphenoxy)-1,3-oxazole
SMILESCOc1ccc(OC)c(Oc2cnco2)c1
InChIInChI=1S/C11H11NO4/c1-13-8-3-4-9(14-2)10(5-8)16-11-6-12-7-15-11/h3-7H,1-2H3
InChIKeyQHORUHBGYUCETK-UHFFFAOYSA-N
XLogP2.48
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenoxy)-1,3-oxazole?
The IUPAC name of 5-(2,5-dimethoxyphenoxy)-1,3-oxazole (CID 141204122) is 5-(2,5-dimethoxyphenoxy)-1,3-oxazole.
What is the SMILES notation for 5-(2,5-dimethoxyphenoxy)-1,3-oxazole?
The canonical SMILES for 5-(2,5-dimethoxyphenoxy)-1,3-oxazole is COc1ccc(OC)c(Oc2cnco2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenoxy)-1,3-oxazole?
The InChIKey is QHORUHBGYUCETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-13-8-3-4-9(14-2)10(5-8)16-11-6-12-7-15-11/h3-7H,1-2H3.
What are the key properties of 5-(2,5-dimethoxyphenoxy)-1,3-oxazole?
5-(2,5-dimethoxyphenoxy)-1,3-oxazole has a molecular weight of 221.21 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenoxy)-1,3-oxazole is sourced from PubChem (CID 141204122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).