5,7-dichloro-4,6-dimethoxy-1,2-benzoxazole

C9H7Cl2NO3 — CID 13047562

IUPAC5,7-dichloro-4,6-dimethoxy-1,2-benzoxazole
SMILESCOc1c(Cl)c(OC)c2cnoc2c1Cl
InChIInChI=1S/C9H7Cl2NO3/c1-13-7-4-3-12-15-8(4)6(11)9(14-2)5(7)10/h3H,1-2H3
InChIKeyPSEBPMBJKJAVSY-UHFFFAOYSA-N
MW248.06 g/mol
LogP3.15
Rot. Bonds2

About 5,7-dichloro-4,6-dimethoxy-1,2-benzoxazole

5,7-dichloro-4,6-dimethoxy-1,2-benzoxazole (PubChem CID 13047562) has the molecular formula C9H7Cl2NO3 and a molecular weight of 248.06 g/mol. Its IUPAC name is 5,7-dichloro-4,6-dimethoxy-1,2-benzoxazole.

Molecular Properties

Compound Name5,7-dichloro-4,6-dimethoxy-1,2-benzoxazole
PubChem CID13047562
Molecular FormulaC9H7Cl2NO3
Molecular Weight248.06 g/mol
Exact Mass246.98
IUPAC Name5,7-dichloro-4,6-dimethoxy-1,2-benzoxazole
SMILESCOc1c(Cl)c(OC)c2cnoc2c1Cl
InChIInChI=1S/C9H7Cl2NO3/c1-13-7-4-3-12-15-8(4)6(11)9(14-2)5(7)10/h3H,1-2H3
InChIKeyPSEBPMBJKJAVSY-UHFFFAOYSA-N
XLogP3.15
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.06
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-4,6-dimethoxy-1,2-benzoxazole?
The IUPAC name of 5,7-dichloro-4,6-dimethoxy-1,2-benzoxazole (CID 13047562) is 5,7-dichloro-4,6-dimethoxy-1,2-benzoxazole.
What is the SMILES notation for 5,7-dichloro-4,6-dimethoxy-1,2-benzoxazole?
The canonical SMILES for 5,7-dichloro-4,6-dimethoxy-1,2-benzoxazole is COc1c(Cl)c(OC)c2cnoc2c1Cl.
What is the InChIKey of 5,7-dichloro-4,6-dimethoxy-1,2-benzoxazole?
The InChIKey is PSEBPMBJKJAVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO3/c1-13-7-4-3-12-15-8(4)6(11)9(14-2)5(7)10/h3H,1-2H3.
What are the key properties of 5,7-dichloro-4,6-dimethoxy-1,2-benzoxazole?
5,7-dichloro-4,6-dimethoxy-1,2-benzoxazole has a molecular weight of 248.06 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-4,6-dimethoxy-1,2-benzoxazole is sourced from PubChem (CID 13047562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).