6-(2,4-dichlorophenyl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine

C11H6Cl2N4O — CID 178072561

IUPAC6-(2,4-dichlorophenyl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine
SMILESNc1noc2nc(-c3ccc(Cl)cc3Cl)cnc12
InChIInChI=1S/C11H6Cl2N4O/c12-5-1-2-6(7(13)3-5)8-4-15-9-10(14)17-18-11(9)16-8/h1-4H,(H2,14,17)
InChIKeyKSOFEJMEZWLDCY-UHFFFAOYSA-N
MW281.10 g/mol
LogP3.17
Rot. Bonds1

About 6-(2,4-dichlorophenyl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine

6-(2,4-dichlorophenyl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine (PubChem CID 178072561) has the molecular formula C11H6Cl2N4O and a molecular weight of 281.10 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine
PubChem CID178072561
Molecular FormulaC11H6Cl2N4O
Molecular Weight281.10 g/mol
Exact Mass279.99
IUPAC Name6-(2,4-dichlorophenyl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine
SMILESNc1noc2nc(-c3ccc(Cl)cc3Cl)cnc12
InChIInChI=1S/C11H6Cl2N4O/c12-5-1-2-6(7(13)3-5)8-4-15-9-10(14)17-18-11(9)16-8/h1-4H,(H2,14,17)
InChIKeyKSOFEJMEZWLDCY-UHFFFAOYSA-N
XLogP3.17
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine?
The IUPAC name of 6-(2,4-dichlorophenyl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine (CID 178072561) is 6-(2,4-dichlorophenyl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine?
The canonical SMILES for 6-(2,4-dichlorophenyl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine is Nc1noc2nc(-c3ccc(Cl)cc3Cl)cnc12.
What is the InChIKey of 6-(2,4-dichlorophenyl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine?
The InChIKey is KSOFEJMEZWLDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N4O/c12-5-1-2-6(7(13)3-5)8-4-15-9-10(14)17-18-11(9)16-8/h1-4H,(H2,14,17).
What are the key properties of 6-(2,4-dichlorophenyl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine?
6-(2,4-dichlorophenyl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine has a molecular weight of 281.10 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)-[1,2]oxazolo[4,5-b]pyrazin-3-amine is sourced from PubChem (CID 178072561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).