4,6-dichloro-2-ethyl-1,3-benzoxazole

C9H7Cl2NO — CID 82230696

IUPAC4,6-dichloro-2-ethyl-1,3-benzoxazole
SMILESCCc1nc2c(Cl)cc(Cl)cc2o1
InChIInChI=1S/C9H7Cl2NO/c1-2-8-12-9-6(11)3-5(10)4-7(9)13-8/h3-4H,2H2,1H3
InChIKeyMULSBYPWUMRIJR-UHFFFAOYSA-N
MW216.07 g/mol
LogP3.70
Rot. Bonds1

About 4,6-dichloro-2-ethyl-1,3-benzoxazole

4,6-dichloro-2-ethyl-1,3-benzoxazole (PubChem CID 82230696) has the molecular formula C9H7Cl2NO and a molecular weight of 216.07 g/mol. Its IUPAC name is 4,6-dichloro-2-ethyl-1,3-benzoxazole.

Molecular Properties

Compound Name4,6-dichloro-2-ethyl-1,3-benzoxazole
PubChem CID82230696
Molecular FormulaC9H7Cl2NO
Molecular Weight216.07 g/mol
Exact Mass214.99
IUPAC Name4,6-dichloro-2-ethyl-1,3-benzoxazole
SMILESCCc1nc2c(Cl)cc(Cl)cc2o1
InChIInChI=1S/C9H7Cl2NO/c1-2-8-12-9-6(11)3-5(10)4-7(9)13-8/h3-4H,2H2,1H3
InChIKeyMULSBYPWUMRIJR-UHFFFAOYSA-N
XLogP3.70
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-ethyl-1,3-benzoxazole?
The IUPAC name of 4,6-dichloro-2-ethyl-1,3-benzoxazole (CID 82230696) is 4,6-dichloro-2-ethyl-1,3-benzoxazole.
What is the SMILES notation for 4,6-dichloro-2-ethyl-1,3-benzoxazole?
The canonical SMILES for 4,6-dichloro-2-ethyl-1,3-benzoxazole is CCc1nc2c(Cl)cc(Cl)cc2o1.
What is the InChIKey of 4,6-dichloro-2-ethyl-1,3-benzoxazole?
The InChIKey is MULSBYPWUMRIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO/c1-2-8-12-9-6(11)3-5(10)4-7(9)13-8/h3-4H,2H2,1H3.
What are the key properties of 4,6-dichloro-2-ethyl-1,3-benzoxazole?
4,6-dichloro-2-ethyl-1,3-benzoxazole has a molecular weight of 216.07 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-ethyl-1,3-benzoxazole is sourced from PubChem (CID 82230696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).