6,7-dichloro-1,3-benzoxazol-5-amine

C7H4Cl2N2O — CID 82230206

IUPAC6,7-dichloro-1,3-benzoxazol-5-amine
SMILESNc1cc2ncoc2c(Cl)c1Cl
InChIInChI=1S/C7H4Cl2N2O/c8-5-3(10)1-4-7(6(5)9)12-2-11-4/h1-2H,10H2
InChIKeyCKNJUZIRJTXSKM-UHFFFAOYSA-N
MW203.03 g/mol
LogP2.72
Rot. Bonds

About 6,7-dichloro-1,3-benzoxazol-5-amine

6,7-dichloro-1,3-benzoxazol-5-amine (PubChem CID 82230206) has the molecular formula C7H4Cl2N2O and a molecular weight of 203.03 g/mol. Its IUPAC name is 6,7-dichloro-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name6,7-dichloro-1,3-benzoxazol-5-amine
PubChem CID82230206
Molecular FormulaC7H4Cl2N2O
Molecular Weight203.03 g/mol
Exact Mass201.97
IUPAC Name6,7-dichloro-1,3-benzoxazol-5-amine
SMILESNc1cc2ncoc2c(Cl)c1Cl
InChIInChI=1S/C7H4Cl2N2O/c8-5-3(10)1-4-7(6(5)9)12-2-11-4/h1-2H,10H2
InChIKeyCKNJUZIRJTXSKM-UHFFFAOYSA-N
XLogP2.72
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-1,3-benzoxazol-5-amine?
The IUPAC name of 6,7-dichloro-1,3-benzoxazol-5-amine (CID 82230206) is 6,7-dichloro-1,3-benzoxazol-5-amine.
What is the SMILES notation for 6,7-dichloro-1,3-benzoxazol-5-amine?
The canonical SMILES for 6,7-dichloro-1,3-benzoxazol-5-amine is Nc1cc2ncoc2c(Cl)c1Cl.
What is the InChIKey of 6,7-dichloro-1,3-benzoxazol-5-amine?
The InChIKey is CKNJUZIRJTXSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2O/c8-5-3(10)1-4-7(6(5)9)12-2-11-4/h1-2H,10H2.
What are the key properties of 6,7-dichloro-1,3-benzoxazol-5-amine?
6,7-dichloro-1,3-benzoxazol-5-amine has a molecular weight of 203.03 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-1,3-benzoxazol-5-amine is sourced from PubChem (CID 82230206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).