5-(2,6-dichlorophenoxy)-1,3-oxazole

C9H5Cl2NO2 — CID 90952309

IUPAC5-(2,6-dichlorophenoxy)-1,3-oxazole
SMILESClc1cccc(Cl)c1Oc1cnco1
InChIInChI=1S/C9H5Cl2NO2/c10-6-2-1-3-7(11)9(6)14-8-4-12-5-13-8/h1-5H
InChIKeyBQJVLWIOXAVZAO-UHFFFAOYSA-N
MW230.05 g/mol
LogP3.77
Rot. Bonds2

About 5-(2,6-dichlorophenoxy)-1,3-oxazole

5-(2,6-dichlorophenoxy)-1,3-oxazole (PubChem CID 90952309) has the molecular formula C9H5Cl2NO2 and a molecular weight of 230.05 g/mol. Its IUPAC name is 5-(2,6-dichlorophenoxy)-1,3-oxazole.

Molecular Properties

Compound Name5-(2,6-dichlorophenoxy)-1,3-oxazole
PubChem CID90952309
Molecular FormulaC9H5Cl2NO2
Molecular Weight230.05 g/mol
Exact Mass228.97
IUPAC Name5-(2,6-dichlorophenoxy)-1,3-oxazole
SMILESClc1cccc(Cl)c1Oc1cnco1
InChIInChI=1S/C9H5Cl2NO2/c10-6-2-1-3-7(11)9(6)14-8-4-12-5-13-8/h1-5H
InChIKeyBQJVLWIOXAVZAO-UHFFFAOYSA-N
XLogP3.77
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenoxy)-1,3-oxazole?
The IUPAC name of 5-(2,6-dichlorophenoxy)-1,3-oxazole (CID 90952309) is 5-(2,6-dichlorophenoxy)-1,3-oxazole.
What is the SMILES notation for 5-(2,6-dichlorophenoxy)-1,3-oxazole?
The canonical SMILES for 5-(2,6-dichlorophenoxy)-1,3-oxazole is Clc1cccc(Cl)c1Oc1cnco1.
What is the InChIKey of 5-(2,6-dichlorophenoxy)-1,3-oxazole?
The InChIKey is BQJVLWIOXAVZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO2/c10-6-2-1-3-7(11)9(6)14-8-4-12-5-13-8/h1-5H.
What are the key properties of 5-(2,6-dichlorophenoxy)-1,3-oxazole?
5-(2,6-dichlorophenoxy)-1,3-oxazole has a molecular weight of 230.05 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenoxy)-1,3-oxazole is sourced from PubChem (CID 90952309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).