2,5-dichloro-7-methoxy-1,3-benzoxazole

C8H5Cl2NO2 — CID 131003018

IUPAC2,5-dichloro-7-methoxy-1,3-benzoxazole
SMILESCOc1cc(Cl)cc2nc(Cl)oc12
InChIInChI=1S/C8H5Cl2NO2/c1-12-6-3-4(9)2-5-7(6)13-8(10)11-5/h2-3H,1H3
InChIKeyWYNZTCJOKPDREV-UHFFFAOYSA-N
MW218.04 g/mol
LogP3.14
Rot. Bonds1

About 2,5-dichloro-7-methoxy-1,3-benzoxazole

2,5-dichloro-7-methoxy-1,3-benzoxazole (PubChem CID 131003018) has the molecular formula C8H5Cl2NO2 and a molecular weight of 218.04 g/mol. Its IUPAC name is 2,5-dichloro-7-methoxy-1,3-benzoxazole.

Molecular Properties

Compound Name2,5-dichloro-7-methoxy-1,3-benzoxazole
PubChem CID131003018
Molecular FormulaC8H5Cl2NO2
Molecular Weight218.04 g/mol
Exact Mass216.97
IUPAC Name2,5-dichloro-7-methoxy-1,3-benzoxazole
SMILESCOc1cc(Cl)cc2nc(Cl)oc12
InChIInChI=1S/C8H5Cl2NO2/c1-12-6-3-4(9)2-5-7(6)13-8(10)11-5/h2-3H,1H3
InChIKeyWYNZTCJOKPDREV-UHFFFAOYSA-N
XLogP3.14
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.04
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-7-methoxy-1,3-benzoxazole?
The IUPAC name of 2,5-dichloro-7-methoxy-1,3-benzoxazole (CID 131003018) is 2,5-dichloro-7-methoxy-1,3-benzoxazole.
What is the SMILES notation for 2,5-dichloro-7-methoxy-1,3-benzoxazole?
The canonical SMILES for 2,5-dichloro-7-methoxy-1,3-benzoxazole is COc1cc(Cl)cc2nc(Cl)oc12.
What is the InChIKey of 2,5-dichloro-7-methoxy-1,3-benzoxazole?
The InChIKey is WYNZTCJOKPDREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO2/c1-12-6-3-4(9)2-5-7(6)13-8(10)11-5/h2-3H,1H3.
What are the key properties of 2,5-dichloro-7-methoxy-1,3-benzoxazole?
2,5-dichloro-7-methoxy-1,3-benzoxazole has a molecular weight of 218.04 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-7-methoxy-1,3-benzoxazole is sourced from PubChem (CID 131003018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).