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

C8H5Cl2NO — CID 82230193

IUPAC4,6-dichloro-2-methyl-1,3-benzoxazole
SMILESCc1nc2c(Cl)cc(Cl)cc2o1
InChIInChI=1S/C8H5Cl2NO/c1-4-11-8-6(10)2-5(9)3-7(8)12-4/h2-3H,1H3
InChIKeyQFECLXAGNRZEAX-UHFFFAOYSA-N
MW202.04 g/mol
LogP3.44
Rot. Bonds

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

4,6-dichloro-2-methyl-1,3-benzoxazole (PubChem CID 82230193) has the molecular formula C8H5Cl2NO and a molecular weight of 202.04 g/mol. Its IUPAC name is 4,6-dichloro-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name4,6-dichloro-2-methyl-1,3-benzoxazole
PubChem CID82230193
Molecular FormulaC8H5Cl2NO
Molecular Weight202.04 g/mol
Exact Mass200.97
IUPAC Name4,6-dichloro-2-methyl-1,3-benzoxazole
SMILESCc1nc2c(Cl)cc(Cl)cc2o1
InChIInChI=1S/C8H5Cl2NO/c1-4-11-8-6(10)2-5(9)3-7(8)12-4/h2-3H,1H3
InChIKeyQFECLXAGNRZEAX-UHFFFAOYSA-N
XLogP3.44
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.04
LogP ≤ 53.44
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-methyl-1,3-benzoxazole?
The IUPAC name of 4,6-dichloro-2-methyl-1,3-benzoxazole (CID 82230193) is 4,6-dichloro-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 4,6-dichloro-2-methyl-1,3-benzoxazole?
The canonical SMILES for 4,6-dichloro-2-methyl-1,3-benzoxazole is Cc1nc2c(Cl)cc(Cl)cc2o1.
What is the InChIKey of 4,6-dichloro-2-methyl-1,3-benzoxazole?
The InChIKey is QFECLXAGNRZEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2NO/c1-4-11-8-6(10)2-5(9)3-7(8)12-4/h2-3H,1H3.
What are the key properties of 4,6-dichloro-2-methyl-1,3-benzoxazole?
4,6-dichloro-2-methyl-1,3-benzoxazole has a molecular weight of 202.04 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 82230193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).