5,7-dichloro-1,3-benzoxazol-2-amine

C7H4Cl2N2O — CID 46942325

IUPAC5,7-dichloro-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C7H4Cl2N2O/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H,(H2,10,11)
InChIKeyNHDNAMKNESMSDH-UHFFFAOYSA-N
MW203.03 g/mol
LogP2.72
Rot. Bonds

About 5,7-dichloro-1,3-benzoxazol-2-amine

5,7-dichloro-1,3-benzoxazol-2-amine (PubChem CID 46942325) has the molecular formula C7H4Cl2N2O and a molecular weight of 203.03 g/mol. Its IUPAC name is 5,7-dichloro-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5,7-dichloro-1,3-benzoxazol-2-amine
PubChem CID46942325
Molecular FormulaC7H4Cl2N2O
Molecular Weight203.03 g/mol
Exact Mass201.97
IUPAC Name5,7-dichloro-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(Cl)cc(Cl)c2o1
InChIInChI=1S/C7H4Cl2N2O/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H,(H2,10,11)
InChIKeyNHDNAMKNESMSDH-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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-1,3-benzoxazol-2-amine?
The IUPAC name of 5,7-dichloro-1,3-benzoxazol-2-amine (CID 46942325) is 5,7-dichloro-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5,7-dichloro-1,3-benzoxazol-2-amine?
The canonical SMILES for 5,7-dichloro-1,3-benzoxazol-2-amine is Nc1nc2cc(Cl)cc(Cl)c2o1.
What is the InChIKey of 5,7-dichloro-1,3-benzoxazol-2-amine?
The InChIKey is NHDNAMKNESMSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2O/c8-3-1-4(9)6-5(2-3)11-7(10)12-6/h1-2H,(H2,10,11).
What are the key properties of 5,7-dichloro-1,3-benzoxazol-2-amine?
5,7-dichloro-1,3-benzoxazol-2-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 5,7-dichloro-1,3-benzoxazol-2-amine is sourced from PubChem (CID 46942325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).