azetidin-1-yl-[3-(4-chloro-3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chlorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-3-fluorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C81H76Cl5F3N16O10 — CID 158894745

About azetidin-1-yl-[3-(4-chloro-3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chlorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-3-fluorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

azetidin-1-yl-[3-(4-chloro-3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chlorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-3-fluorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 158894745) has the molecular formula C81H76Cl5F3N16O10 and a molecular weight of 1667.86 g/mol. Its IUPAC name is azetidin-1-yl-[3-(4-chloro-3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chlorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-3-fluorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

• Compound Name: azetidin-1-yl-[3-(4-chloro-3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chlorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-3-fluorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
• PubChem CID: 158894745
• Molecular Formula: C81H76Cl5F3N16O10
• Molecular Weight: 1667.86 g/mol
• Exact Mass: 1664.43
• IUPAC Name: azetidin-1-yl-[3-(4-chloro-3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chlorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-3-fluorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
• SMILES: N#Cc1ccc(-c2c(C(=O)NC3CC3)nn3c2OCCC3)cc1F.O=C(NC1CC1)c1nn2c(c1-c1ccc(Cl)c(F)c1)OCCC2.O=C(NC1CC1)c1nn2c(c1-c1ccc(Cl)cc1)OCCC2.O=C(c1nn2c(c1-c1ccc(Cl)c(Cl)c1)OCCC2)N1CCC1.O=C(c1nn2c(c1-c1ccc(Cl)c(F)c1)OCCC2)N1CCC1
• InChI: InChI=1S/C17H15FN4O2.C16H15Cl2N3O2.2C16H15ClFN3O2.C16H16ClN3O2/c18-13-8-10(2-3-11(13)9-19)14-15(16(23)20-12-4-5-12)21-22-6-1-7-24-17(14)22;17-11-4-3-10(9-12(11)18)13-14(15(22)20-5-1-6-20)19-21-7-2-8-23-16(13)21;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;17-11-4-3-10(9-12(11)18)13-14(15(22)20-5-1-6-20)19-21-7-2-8-23-16(13)21;17-11-4-2-10(3-5-11)13-14(15(21)18-12-6-7-12)19-20-8-1-9-22-16(13)20/h2-3,8,12H,1,4-7H2,(H,20,23);3-4,9H,1-2,5-8H2;2,5,8,10H,1,3-4,6-7H2,(H,19,22);3-4,9H,1-2,5-8H2;2-5,12H,1,6-9H2,(H,18,21)
• InChIKey: JERRAYNLTYKEHP-UHFFFAOYSA-N
• XLogP: 14.59
• TPSA: 286.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1667.86
LogP ≤ 5	14.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

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

The IUPAC name of azetidin-1-yl-[3-(4-chloro-3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chlorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-3-fluorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 158894745) is azetidin-1-yl-[3-(4-chloro-3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chlorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-3-fluorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

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

The canonical SMILES for azetidin-1-yl-[3-(4-chloro-3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chlorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-3-fluorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is N#Cc1ccc(-c2c(C(=O)NC3CC3)nn3c2OCCC3)cc1F.O=C(NC1CC1)c1nn2c(c1-c1ccc(Cl)c(F)c1)OCCC2.O=C(NC1CC1)c1nn2c(c1-c1ccc(Cl)cc1)OCCC2.O=C(c1nn2c(c1-c1ccc(Cl)c(Cl)c1)OCCC2)N1CCC1.O=C(c1nn2c(c1-c1ccc(Cl)c(F)c1)OCCC2)N1CCC1.

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

The InChIKey is JERRAYNLTYKEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2.C16H15Cl2N3O2.2C16H15ClFN3O2.C16H16ClN3O2/c18-13-8-10(2-3-11(13)9-19)14-15(16(23)20-12-4-5-12)21-22-6-1-7-24-17(14)22;17-11-4-3-10(9-12(11)18)13-14(15(22)20-5-1-6-20)19-21-7-2-8-23-16(13)21;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;17-11-4-3-10(9-12(11)18)13-14(15(22)20-5-1-6-20)19-21-7-2-8-23-16(13)21;17-11-4-2-10(3-5-11)13-14(15(21)18-12-6-7-12)19-20-8-1-9-22-16(13)20/h2-3,8,12H,1,4-7H2,(H,20,23);3-4,9H,1-2,5-8H2;2,5,8,10H,1,3-4,6-7H2,(H,19,22);3-4,9H,1-2,5-8H2;2-5,12H,1,6-9H2,(H,18,21).

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

azetidin-1-yl-[3-(4-chloro-3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chlorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-3-fluorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 1667.86 g/mol, XLogP of 14.59, 13 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for azetidin-1-yl-[3-(4-chloro-3-fluorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;azetidin-1-yl-[3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl]methanone;3-(4-chloro-3-fluorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-chlorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;3-(4-cyano-3-fluorophenyl)-N-cyclopropyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 158894745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).