3-(4-chloro-2,5-difluorophenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-3-fluorophenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C77H76Cl4F6N16O10 — CID 157327437

About 3-(4-chloro-2,5-difluorophenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-3-fluorophenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

3-(4-chloro-2,5-difluorophenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-3-fluorophenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 157327437) has the molecular formula C77H76Cl4F6N16O10 and a molecular weight of 1641.36 g/mol. Its IUPAC name is 3-(4-chloro-2,5-difluorophenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-3-fluorophenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-(4-chloro-2,5-difluorophenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-3-fluorophenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
• PubChem CID: 157327437
• Molecular Formula: C77H76Cl4F6N16O10
• Molecular Weight: 1641.36 g/mol
• Exact Mass: 1638.46
• IUPAC Name: 3-(4-chloro-2,5-difluorophenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-3-fluorophenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
• SMILES: CCNC(=O)c1nn2c(c1-c1cc(F)c(C#N)cc1C)OCCC2.CCNC(=O)c1nn2c(c1-c1cc(F)c(Cl)cc1C)OCCC2.CCNC(=O)c1nn2c(c1-c1cc(F)c(Cl)cc1F)OCCC2.CNC(=O)c1nn2c(c1-c1cc(F)c(Cl)cc1C)OCCC2.CNC(=O)c1nn2c(c1-c1ccc(Cl)c(F)c1)OCCC2
• InChI: InChI=1S/C17H17FN4O2.C16H17ClFN3O2.C15H14ClF2N3O2.C15H15ClFN3O2.C14H13ClFN3O2/c1-3-20-16(23)15-14(17-22(21-15)5-4-6-24-17)12-8-13(18)11(9-19)7-10(12)2;1-3-19-15(22)14-13(16-21(20-14)5-4-6-23-16)10-8-12(18)11(17)7-9(10)2;1-2-19-14(22)13-12(15-21(20-13)4-3-5-23-15)8-6-11(18)9(16)7-10(8)17;1-8-6-10(16)11(17)7-9(8)12-13(14(21)18-2)19-20-4-3-5-22-15(12)20;1-17-13(20)12-11(8-3-4-9(15)10(16)7-8)14-19(18-12)5-2-6-21-14/h7-8H,3-6H2,1-2H3,(H,20,23);7-8H,3-6H2,1-2H3,(H,19,22);6-7H,2-5H2,1H3,(H,19,22);6-7H,3-5H2,1-2H3,(H,18,21);3-4,7H,2,5-6H2,1H3,(H,17,20)
• InChIKey: BEWYSJFVJBITDF-UHFFFAOYSA-N
• XLogP: 13.88
• TPSA: 304.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1641.36
LogP ≤ 5	13.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,5-difluorophenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-3-fluorophenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?

The IUPAC name of 3-(4-chloro-2,5-difluorophenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-3-fluorophenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 157327437) is 3-(4-chloro-2,5-difluorophenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-3-fluorophenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

What is the SMILES notation for 3-(4-chloro-2,5-difluorophenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-3-fluorophenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?

The canonical SMILES for 3-(4-chloro-2,5-difluorophenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-3-fluorophenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is CCNC(=O)c1nn2c(c1-c1cc(F)c(C#N)cc1C)OCCC2.CCNC(=O)c1nn2c(c1-c1cc(F)c(Cl)cc1C)OCCC2.CCNC(=O)c1nn2c(c1-c1cc(F)c(Cl)cc1F)OCCC2.CNC(=O)c1nn2c(c1-c1cc(F)c(Cl)cc1C)OCCC2.CNC(=O)c1nn2c(c1-c1ccc(Cl)c(F)c1)OCCC2.

What is the InChIKey of 3-(4-chloro-2,5-difluorophenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-3-fluorophenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?

The InChIKey is BEWYSJFVJBITDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2.C16H17ClFN3O2.C15H14ClF2N3O2.C15H15ClFN3O2.C14H13ClFN3O2/c1-3-20-16(23)15-14(17-22(21-15)5-4-6-24-17)12-8-13(18)11(9-19)7-10(12)2;1-3-19-15(22)14-13(16-21(20-14)5-4-6-23-16)10-8-12(18)11(17)7-9(10)2;1-2-19-14(22)13-12(15-21(20-13)4-3-5-23-15)8-6-11(18)9(16)7-10(8)17;1-8-6-10(16)11(17)7-9(8)12-13(14(21)18-2)19-20-4-3-5-22-15(12)20;1-17-13(20)12-11(8-3-4-9(15)10(16)7-8)14-19(18-12)5-2-6-21-14/h7-8H,3-6H2,1-2H3,(H,20,23);7-8H,3-6H2,1-2H3,(H,19,22);6-7H,2-5H2,1H3,(H,19,22);6-7H,3-5H2,1-2H3,(H,18,21);3-4,7H,2,5-6H2,1H3,(H,17,20).

What are the key properties of 3-(4-chloro-2,5-difluorophenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-3-fluorophenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?

3-(4-chloro-2,5-difluorophenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-3-fluorophenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 1641.36 g/mol, XLogP of 13.88, 13 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chloro-2,5-difluorophenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-5-fluoro-2-methylphenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chloro-3-fluorophenyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-5-fluoro-2-methylphenyl)-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 157327437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).