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

C14H9Cl2NO2 — CID 25268582

IUPAC3,5-bis(4-chlorophenyl)-1,4,2-dioxazole
SMILESClc1ccc(C2=NOC(c3ccc(Cl)cc3)O2)cc1
InChIInChI=1S/C14H9Cl2NO2/c15-11-5-1-9(2-6-11)13-17-19-14(18-13)10-3-7-12(16)8-4-10/h1-8,14H
InChIKeyODHXDVBWCQQCKV-UHFFFAOYSA-N
MW294.14 g/mol
LogP4.40
Rot. Bonds2

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

3,5-bis(4-chlorophenyl)-1,4,2-dioxazole (PubChem CID 25268582) has the molecular formula C14H9Cl2NO2 and a molecular weight of 294.14 g/mol. Its IUPAC name is 3,5-bis(4-chlorophenyl)-1,4,2-dioxazole.

Molecular Properties

Compound Name3,5-bis(4-chlorophenyl)-1,4,2-dioxazole
PubChem CID25268582
Molecular FormulaC14H9Cl2NO2
Molecular Weight294.14 g/mol
Exact Mass293.00
IUPAC Name3,5-bis(4-chlorophenyl)-1,4,2-dioxazole
SMILESClc1ccc(C2=NOC(c3ccc(Cl)cc3)O2)cc1
InChIInChI=1S/C14H9Cl2NO2/c15-11-5-1-9(2-6-11)13-17-19-14(18-13)10-3-7-12(16)8-4-10/h1-8,14H
InChIKeyODHXDVBWCQQCKV-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(4-chlorophenyl)-1,4,2-dioxazole?
The IUPAC name of 3,5-bis(4-chlorophenyl)-1,4,2-dioxazole (CID 25268582) is 3,5-bis(4-chlorophenyl)-1,4,2-dioxazole.
What is the SMILES notation for 3,5-bis(4-chlorophenyl)-1,4,2-dioxazole?
The canonical SMILES for 3,5-bis(4-chlorophenyl)-1,4,2-dioxazole is Clc1ccc(C2=NOC(c3ccc(Cl)cc3)O2)cc1.
What is the InChIKey of 3,5-bis(4-chlorophenyl)-1,4,2-dioxazole?
The InChIKey is ODHXDVBWCQQCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO2/c15-11-5-1-9(2-6-11)13-17-19-14(18-13)10-3-7-12(16)8-4-10/h1-8,14H.
What are the key properties of 3,5-bis(4-chlorophenyl)-1,4,2-dioxazole?
3,5-bis(4-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(4-chlorophenyl)-1,4,2-dioxazole is sourced from PubChem (CID 25268582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).