4-[2-(azetidine-1-carbonyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2,6-difluorobenzonitrile;azetidin-1-yl-[3-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,5-difluoro-4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-cyano-2-methylphenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;N-cyclopropyl-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C84H80Cl3F4N17O11 — CID 159639646

About 4-[2-(azetidine-1-carbonyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2,6-difluorobenzonitrile;azetidin-1-yl-[3-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,5-difluoro-4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-cyano-2-methylphenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;N-cyclopropyl-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

4-[2-(azetidine-1-carbonyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2,6-difluorobenzonitrile;azetidin-1-yl-[3-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,5-difluoro-4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-cyano-2-methylphenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;N-cyclopropyl-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 159639646) has the molecular formula C84H80Cl3F4N17O11 and a molecular weight of 1686.02 g/mol. Its IUPAC name is 4-[2-(azetidine-1-carbonyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2,6-difluorobenzonitrile;azetidin-1-yl-[3-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,5-difluoro-4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-cyano-2-methylphenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;N-cyclopropyl-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[2-(azetidine-1-carbonyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2,6-difluorobenzonitrile;azetidin-1-yl-[3-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,5-difluoro-4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-cyano-2-methylphenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;N-cyclopropyl-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
• PubChem CID: 159639646
• Molecular Formula: C84H80Cl3F4N17O11
• Molecular Weight: 1686.02 g/mol
• Exact Mass: 1683.52
• IUPAC Name: 4-[2-(azetidine-1-carbonyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2,6-difluorobenzonitrile;azetidin-1-yl-[3-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,5-difluoro-4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-cyano-2-methylphenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;N-cyclopropyl-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
• SMILES: COc1c(F)cc(-c2c(C(=O)N3CCC3)nn3c2OCCC3)cc1F.Cc1cc(C#N)ccc1-c1c(C(=O)NC2CC2)nn2c1OCCC2.N#Cc1c(F)cc(-c2c(C(=O)N3CCC3)nn3c2OCCC3)cc1F.O=C(NC1CC1)c1nn2c(c1-c1ccc(Cl)c(Cl)c1)OCCC2.O=C(c1nn2c(c1-c1ccc(Cl)cc1)OCCC2)N1CCC1
• InChI: InChI=1S/C18H18N4O2.C17H14F2N4O2.C17H17F2N3O3.C16H15Cl2N3O2.C16H16ClN3O2/c1-11-9-12(10-19)3-6-14(11)15-16(17(23)20-13-4-5-13)21-22-7-2-8-24-18(15)22;18-12-7-10(8-13(19)11(12)9-20)14-15(16(24)22-3-1-4-22)21-23-5-2-6-25-17(14)23;1-24-15-11(18)8-10(9-12(15)19)13-14(16(23)21-4-2-5-21)20-22-6-3-7-25-17(13)22;17-11-5-2-9(8-12(11)18)13-14(15(22)19-10-3-4-10)20-21-6-1-7-23-16(13)21;17-12-5-3-11(4-6-12)13-14(15(21)19-7-1-8-19)18-20-9-2-10-22-16(13)20/h3,6,9,13H,2,4-5,7-8H2,1H3,(H,20,23);7-8H,1-6H2;8-9H,2-7H2,1H3;2,5,8,10H,1,3-4,6-7H2,(H,19,22);3-6H,1-2,7-10H2
• InChIKey: MQENJAAPZVZKPX-UHFFFAOYSA-N
• XLogP: 13.56
• TPSA: 311.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1686.02
LogP ≤ 5	13.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4-[2-(azetidine-1-carbonyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2,6-difluorobenzonitrile;azetidin-1-yl-[3-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,5-difluoro-4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-cyano-2-methylphenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;N-cyclopropyl-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?

The IUPAC name of 4-[2-(azetidine-1-carbonyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2,6-difluorobenzonitrile;azetidin-1-yl-[3-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,5-difluoro-4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-cyano-2-methylphenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;N-cyclopropyl-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 159639646) is 4-[2-(azetidine-1-carbonyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2,6-difluorobenzonitrile;azetidin-1-yl-[3-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,5-difluoro-4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-cyano-2-methylphenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;N-cyclopropyl-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

What is the SMILES notation for 4-[2-(azetidine-1-carbonyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2,6-difluorobenzonitrile;azetidin-1-yl-[3-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,5-difluoro-4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-cyano-2-methylphenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;N-cyclopropyl-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?

The canonical SMILES for 4-[2-(azetidine-1-carbonyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2,6-difluorobenzonitrile;azetidin-1-yl-[3-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,5-difluoro-4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-cyano-2-methylphenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;N-cyclopropyl-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is COc1c(F)cc(-c2c(C(=O)N3CCC3)nn3c2OCCC3)cc1F.Cc1cc(C#N)ccc1-c1c(C(=O)NC2CC2)nn2c1OCCC2.N#Cc1c(F)cc(-c2c(C(=O)N3CCC3)nn3c2OCCC3)cc1F.O=C(NC1CC1)c1nn2c(c1-c1ccc(Cl)c(Cl)c1)OCCC2.O=C(c1nn2c(c1-c1ccc(Cl)cc1)OCCC2)N1CCC1.

What is the InChIKey of 4-[2-(azetidine-1-carbonyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2,6-difluorobenzonitrile;azetidin-1-yl-[3-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,5-difluoro-4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-cyano-2-methylphenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;N-cyclopropyl-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?

The InChIKey is MQENJAAPZVZKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2.C17H14F2N4O2.C17H17F2N3O3.C16H15Cl2N3O2.C16H16ClN3O2/c1-11-9-12(10-19)3-6-14(11)15-16(17(23)20-13-4-5-13)21-22-7-2-8-24-18(15)22;18-12-7-10(8-13(19)11(12)9-20)14-15(16(24)22-3-1-4-22)21-23-5-2-6-25-17(14)23;1-24-15-11(18)8-10(9-12(15)19)13-14(16(23)21-4-2-5-21)20-22-6-3-7-25-17(13)22;17-11-5-2-9(8-12(11)18)13-14(15(22)19-10-3-4-10)20-21-6-1-7-23-16(13)21;17-12-5-3-11(4-6-12)13-14(15(21)19-7-1-8-19)18-20-9-2-10-22-16(13)20/h3,6,9,13H,2,4-5,7-8H2,1H3,(H,20,23);7-8H,1-6H2;8-9H,2-7H2,1H3;2,5,8,10H,1,3-4,6-7H2,(H,19,22);3-6H,1-2,7-10H2.

What are the key properties of 4-[2-(azetidine-1-carbonyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2,6-difluorobenzonitrile;azetidin-1-yl-[3-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,5-difluoro-4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-cyano-2-methylphenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;N-cyclopropyl-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?

4-[2-(azetidine-1-carbonyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2,6-difluorobenzonitrile;azetidin-1-yl-[3-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,5-difluoro-4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-cyano-2-methylphenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;N-cyclopropyl-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 1686.02 g/mol, XLogP of 13.56, 13 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(azetidine-1-carbonyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-2,6-difluorobenzonitrile;azetidin-1-yl-[3-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,5-difluoro-4-methoxyphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-cyano-2-methylphenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;N-cyclopropyl-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 159639646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).