5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4,5-dimethyl-1,2-oxazole-3-carboxamide;dichloromethane;4,5-dimethyl-1,2-oxazole-3-carbonyl chloride

C35H25Cl5F4N8O8 — CID 159051845

About 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4,5-dimethyl-1,2-oxazole-3-carboxamide;dichloromethane;4,5-dimethyl-1,2-oxazole-3-carbonyl chloride

5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4,5-dimethyl-1,2-oxazole-3-carboxamide;dichloromethane;4,5-dimethyl-1,2-oxazole-3-carbonyl chloride (PubChem CID 159051845) has the molecular formula C35H25Cl5F4N8O8 and a molecular weight of 938.89 g/mol. Its IUPAC name is 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4,5-dimethyl-1,2-oxazole-3-carboxamide;dichloromethane;4,5-dimethyl-1,2-oxazole-3-carbonyl chloride.

Molecular Properties

• Compound Name: 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4,5-dimethyl-1,2-oxazole-3-carboxamide;dichloromethane;4,5-dimethyl-1,2-oxazole-3-carbonyl chloride
• PubChem CID: 159051845
• Molecular Formula: C35H25Cl5F4N8O8
• Molecular Weight: 938.89 g/mol
• Exact Mass: 936.02
• IUPAC Name: 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4,5-dimethyl-1,2-oxazole-3-carboxamide;dichloromethane;4,5-dimethyl-1,2-oxazole-3-carbonyl chloride
• SMILES: Cc1onc(C(=O)Cl)c1C.Cc1onc(C(=O)Nc2cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1C.ClCCl.Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
• InChI: InChI=1S/C17H11ClF2N4O4.C11H6ClF2N3O2.C6H6ClNO2.CH2Cl2/c1-7-8(2)28-24-15(7)16(25)23-14-6-21-11(5-22-14)9-3-12-13(4-10(9)18)27-17(19,20)26-12;12-6-2-9-8(18-11(13,14)19-9)1-5(6)7-3-17-10(15)4-16-7;1-3-4(2)10-8-5(3)6(7)9;2-1-3/h3-6H,1-2H3,(H,22,23,25);1-4H,(H2,15,17);1-2H3;1H2
• InChIKey: JXIZOFSOJMZJCK-UHFFFAOYSA-N
• XLogP: 9.77
• TPSA: 212.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	938.89
LogP ≤ 5	9.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4,5-dimethyl-1,2-oxazole-3-carboxamide;dichloromethane;4,5-dimethyl-1,2-oxazole-3-carbonyl chloride?

The IUPAC name of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4,5-dimethyl-1,2-oxazole-3-carboxamide;dichloromethane;4,5-dimethyl-1,2-oxazole-3-carbonyl chloride (CID 159051845) is 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4,5-dimethyl-1,2-oxazole-3-carboxamide;dichloromethane;4,5-dimethyl-1,2-oxazole-3-carbonyl chloride.

What is the SMILES notation for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4,5-dimethyl-1,2-oxazole-3-carboxamide;dichloromethane;4,5-dimethyl-1,2-oxazole-3-carbonyl chloride?

The canonical SMILES for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4,5-dimethyl-1,2-oxazole-3-carboxamide;dichloromethane;4,5-dimethyl-1,2-oxazole-3-carbonyl chloride is Cc1onc(C(=O)Cl)c1C.Cc1onc(C(=O)Nc2cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1C.ClCCl.Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.

What is the InChIKey of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4,5-dimethyl-1,2-oxazole-3-carboxamide;dichloromethane;4,5-dimethyl-1,2-oxazole-3-carbonyl chloride?

The InChIKey is JXIZOFSOJMZJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N4O4.C11H6ClF2N3O2.C6H6ClNO2.CH2Cl2/c1-7-8(2)28-24-15(7)16(25)23-14-6-21-11(5-22-14)9-3-12-13(4-10(9)18)27-17(19,20)26-12;12-6-2-9-8(18-11(13,14)19-9)1-5(6)7-3-17-10(15)4-16-7;1-3-4(2)10-8-5(3)6(7)9;2-1-3/h3-6H,1-2H3,(H,22,23,25);1-4H,(H2,15,17);1-2H3;1H2.

What are the key properties of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4,5-dimethyl-1,2-oxazole-3-carboxamide;dichloromethane;4,5-dimethyl-1,2-oxazole-3-carbonyl chloride?

5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4,5-dimethyl-1,2-oxazole-3-carboxamide;dichloromethane;4,5-dimethyl-1,2-oxazole-3-carbonyl chloride has a molecular weight of 938.89 g/mol, XLogP of 9.77, 5 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4,5-dimethyl-1,2-oxazole-3-carboxamide;dichloromethane;4,5-dimethyl-1,2-oxazole-3-carbonyl chloride is sourced from PubChem (CID 159051845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).