4-(2,5-dichloroquinolin-6-yl)-1,2-oxazol-5-amine

C12H7Cl2N3O — CID 117449345

IUPAC4-(2,5-dichloroquinolin-6-yl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccc2nc(Cl)ccc2c1Cl
InChIInChI=1S/C12H7Cl2N3O/c13-10-4-2-7-9(17-10)3-1-6(11(7)14)8-5-16-18-12(8)15/h1-5H,15H2
InChIKeyFIVABRCLPZIXHP-UHFFFAOYSA-N
MW280.11 g/mol
LogP3.78
Rot. Bonds1

About 4-(2,5-dichloroquinolin-6-yl)-1,2-oxazol-5-amine

4-(2,5-dichloroquinolin-6-yl)-1,2-oxazol-5-amine (PubChem CID 117449345) has the molecular formula C12H7Cl2N3O and a molecular weight of 280.11 g/mol. Its IUPAC name is 4-(2,5-dichloroquinolin-6-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,5-dichloroquinolin-6-yl)-1,2-oxazol-5-amine
PubChem CID117449345
Molecular FormulaC12H7Cl2N3O
Molecular Weight280.11 g/mol
Exact Mass279.00
IUPAC Name4-(2,5-dichloroquinolin-6-yl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccc2nc(Cl)ccc2c1Cl
InChIInChI=1S/C12H7Cl2N3O/c13-10-4-2-7-9(17-10)3-1-6(11(7)14)8-5-16-18-12(8)15/h1-5H,15H2
InChIKeyFIVABRCLPZIXHP-UHFFFAOYSA-N
XLogP3.78
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichloroquinolin-6-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2,5-dichloroquinolin-6-yl)-1,2-oxazol-5-amine (CID 117449345) is 4-(2,5-dichloroquinolin-6-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2,5-dichloroquinolin-6-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2,5-dichloroquinolin-6-yl)-1,2-oxazol-5-amine is Nc1oncc1-c1ccc2nc(Cl)ccc2c1Cl.
What is the InChIKey of 4-(2,5-dichloroquinolin-6-yl)-1,2-oxazol-5-amine?
The InChIKey is FIVABRCLPZIXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O/c13-10-4-2-7-9(17-10)3-1-6(11(7)14)8-5-16-18-12(8)15/h1-5H,15H2.
What are the key properties of 4-(2,5-dichloroquinolin-6-yl)-1,2-oxazol-5-amine?
4-(2,5-dichloroquinolin-6-yl)-1,2-oxazol-5-amine has a molecular weight of 280.11 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichloroquinolin-6-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117449345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).