5,6-dichloro-2-(1,4-dioxan-2-yl)-1,3-benzoxazole

C11H9Cl2NO3 — CID 132529895

IUPAC5,6-dichloro-2-(1,4-dioxan-2-yl)-1,3-benzoxazole
SMILESClc1cc2nc(C3COCCO3)oc2cc1Cl
InChIInChI=1S/C11H9Cl2NO3/c12-6-3-8-9(4-7(6)13)17-11(14-8)10-5-15-1-2-16-10/h3-4,10H,1-2,5H2
InChIKeyBXQJDEGBWJCPMO-UHFFFAOYSA-N
MW274.10 g/mol
LogP3.22
Rot. Bonds1

About 5,6-dichloro-2-(1,4-dioxan-2-yl)-1,3-benzoxazole

5,6-dichloro-2-(1,4-dioxan-2-yl)-1,3-benzoxazole (PubChem CID 132529895) has the molecular formula C11H9Cl2NO3 and a molecular weight of 274.10 g/mol. Its IUPAC name is 5,6-dichloro-2-(1,4-dioxan-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5,6-dichloro-2-(1,4-dioxan-2-yl)-1,3-benzoxazole
PubChem CID132529895
Molecular FormulaC11H9Cl2NO3
Molecular Weight274.10 g/mol
Exact Mass273.00
IUPAC Name5,6-dichloro-2-(1,4-dioxan-2-yl)-1,3-benzoxazole
SMILESClc1cc2nc(C3COCCO3)oc2cc1Cl
InChIInChI=1S/C11H9Cl2NO3/c12-6-3-8-9(4-7(6)13)17-11(14-8)10-5-15-1-2-16-10/h3-4,10H,1-2,5H2
InChIKeyBXQJDEGBWJCPMO-UHFFFAOYSA-N
XLogP3.22
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,6-dichloro-2-(1,4-dioxan-2-yl)-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(1,4-dioxan-2-yl)-1,3-benzoxazole?
The IUPAC name of 5,6-dichloro-2-(1,4-dioxan-2-yl)-1,3-benzoxazole (CID 132529895) is 5,6-dichloro-2-(1,4-dioxan-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 5,6-dichloro-2-(1,4-dioxan-2-yl)-1,3-benzoxazole?
The canonical SMILES for 5,6-dichloro-2-(1,4-dioxan-2-yl)-1,3-benzoxazole is Clc1cc2nc(C3COCCO3)oc2cc1Cl.
What is the InChIKey of 5,6-dichloro-2-(1,4-dioxan-2-yl)-1,3-benzoxazole?
The InChIKey is BXQJDEGBWJCPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO3/c12-6-3-8-9(4-7(6)13)17-11(14-8)10-5-15-1-2-16-10/h3-4,10H,1-2,5H2.
What are the key properties of 5,6-dichloro-2-(1,4-dioxan-2-yl)-1,3-benzoxazole?
5,6-dichloro-2-(1,4-dioxan-2-yl)-1,3-benzoxazole has a molecular weight of 274.10 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(1,4-dioxan-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 132529895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).