3,5-bis(2-chlorophenyl)-1,4,2-dioxazole

C14H9Cl2NO2 — CID 25268220

IUPAC3,5-bis(2-chlorophenyl)-1,4,2-dioxazole
SMILESClc1ccccc1C1=NOC(c2ccccc2Cl)O1
InChIInChI=1S/C14H9Cl2NO2/c15-11-7-3-1-5-9(11)13-17-19-14(18-13)10-6-2-4-8-12(10)16/h1-8,14H
InChIKeyWPWVCBNHFGAQIN-UHFFFAOYSA-N
MW294.14 g/mol
LogP4.40
Rot. Bonds2

About 3,5-bis(2-chlorophenyl)-1,4,2-dioxazole

3,5-bis(2-chlorophenyl)-1,4,2-dioxazole (PubChem CID 25268220) has the molecular formula C14H9Cl2NO2 and a molecular weight of 294.14 g/mol. Its IUPAC name is 3,5-bis(2-chlorophenyl)-1,4,2-dioxazole.

Molecular Properties

Compound Name3,5-bis(2-chlorophenyl)-1,4,2-dioxazole
PubChem CID25268220
Molecular FormulaC14H9Cl2NO2
Molecular Weight294.14 g/mol
Exact Mass293.00
IUPAC Name3,5-bis(2-chlorophenyl)-1,4,2-dioxazole
SMILESClc1ccccc1C1=NOC(c2ccccc2Cl)O1
InChIInChI=1S/C14H9Cl2NO2/c15-11-7-3-1-5-9(11)13-17-19-14(18-13)10-6-2-4-8-12(10)16/h1-8,14H
InChIKeyWPWVCBNHFGAQIN-UHFFFAOYSA-N
XLogP4.40
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-chlorophenyl)-1,4,2-dioxazole?
The IUPAC name of 3,5-bis(2-chlorophenyl)-1,4,2-dioxazole (CID 25268220) is 3,5-bis(2-chlorophenyl)-1,4,2-dioxazole.
What is the SMILES notation for 3,5-bis(2-chlorophenyl)-1,4,2-dioxazole?
The canonical SMILES for 3,5-bis(2-chlorophenyl)-1,4,2-dioxazole is Clc1ccccc1C1=NOC(c2ccccc2Cl)O1.
What is the InChIKey of 3,5-bis(2-chlorophenyl)-1,4,2-dioxazole?
The InChIKey is WPWVCBNHFGAQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO2/c15-11-7-3-1-5-9(11)13-17-19-14(18-13)10-6-2-4-8-12(10)16/h1-8,14H.
What are the key properties of 3,5-bis(2-chlorophenyl)-1,4,2-dioxazole?
3,5-bis(2-chlorophenyl)-1,4,2-dioxazole has a molecular weight of 294.14 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-chlorophenyl)-1,4,2-dioxazole is sourced from PubChem (CID 25268220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).