[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-bromo-3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-2-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-4-ylpyrrolidin-1-yl)methanone;(5-morpholin-4-yl-1,2-oxazol-3-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone

C142H125BrF3N27O24 — CID 159029491

About [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-bromo-3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-2-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-4-ylpyrrolidin-1-yl)methanone;(5-morpholin-4-yl-1,2-oxazol-3-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone

[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-bromo-3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-2-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-4-ylpyrrolidin-1-yl)methanone;(5-morpholin-4-yl-1,2-oxazol-3-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone (PubChem CID 159029491) has the molecular formula C142H125BrF3N27O24 and a molecular weight of 2730.62 g/mol. Its IUPAC name is [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-bromo-3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-2-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-4-ylpyrrolidin-1-yl)methanone;(5-morpholin-4-yl-1,2-oxazol-3-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-bromo-3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-2-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-4-ylpyrrolidin-1-yl)methanone;(5-morpholin-4-yl-1,2-oxazol-3-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone
• PubChem CID: 159029491
• Molecular Formula: C142H125BrF3N27O24
• Molecular Weight: 2730.62 g/mol
• Exact Mass: 2727.85
• IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-bromo-3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-2-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-4-ylpyrrolidin-1-yl)methanone;(5-morpholin-4-yl-1,2-oxazol-3-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone
• SMILES: Cc1nn(C)c2cc(-c3cc(C(=O)N4CCCC4c4cccnn4)no3)ccc12.Cc1nn(C)c2cc(-c3cc(C(=O)N4CCCC4c4ccnnc4)no3)ccc12.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1c1ccnc(Br)c1F.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1c1ccncc1F.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1c1nc2ccccc2o1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1c1ncccc1F.O=C(c1cc(N2CCOCC2)on1)N1CCC[C@H]1c1ccccc1
• InChI: InChI=1S/C22H17N3O5.2C21H20N6O2.C20H15BrFN3O4.2C20H16FN3O4.C18H21N3O3/c26-22(15-11-19(30-24-15)13-7-8-18-20(10-13)28-12-27-18)25-9-3-5-16(25)21-23-14-4-1-2-6-17(14)29-21;1-13-15-8-7-14(11-19(15)26(2)24-13)20-12-17(25-29-20)21(28)27-10-4-6-18(27)16-5-3-9-22-23-16;1-13-16-6-5-14(10-19(16)26(2)24-13)20-11-17(25-29-20)21(28)27-9-3-4-18(27)15-7-8-22-23-12-15;21-19-18(22)12(5-6-23-19)14-2-1-7-25(14)20(26)13-9-16(29-24-13)11-3-4-15-17(8-11)28-10-27-15;21-13-3-1-7-22-19(13)15-4-2-8-24(15)20(25)14-10-17(28-23-14)12-5-6-16-18(9-12)27-11-26-16;21-14-10-22-6-5-13(14)16-2-1-7-24(16)20(25)15-9-18(28-23-15)12-3-4-17-19(8-12)27-11-26-17;22-18(15-13-17(24-19-15)20-9-11-23-12-10-20)21-8-4-7-16(21)14-5-2-1-3-6-14/h1-2,4,6-8,10-11,16H,3,5,9,12H2;3,5,7-9,11-12,18H,4,6,10H2,1-2H3;5-8,10-12,18H,3-4,9H2,1-2H3;3-6,8-9,14H,1-2,7,10H2;1,3,5-7,9-10,15H,2,4,8,11H2;3-6,8-10,16H,1-2,7,11H2;1-3,5-6,13,16H,4,7-12H2/t;;;;;;16-/m......0/s1
• InChIKey: JURVBOBLMGTWLJ-QRTPZLLISA-N
• XLogP: 24.79
• TPSA: 562.59 Ų
• H-Bond Acceptors: 44
• Rotatable Bonds: 21
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2730.62
LogP ≤ 5	24.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-bromo-3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-2-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-4-ylpyrrolidin-1-yl)methanone;(5-morpholin-4-yl-1,2-oxazol-3-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone?

The IUPAC name of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-bromo-3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-2-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-4-ylpyrrolidin-1-yl)methanone;(5-morpholin-4-yl-1,2-oxazol-3-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone (CID 159029491) is [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-bromo-3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-2-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-4-ylpyrrolidin-1-yl)methanone;(5-morpholin-4-yl-1,2-oxazol-3-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone.

What is the SMILES notation for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-bromo-3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-2-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-4-ylpyrrolidin-1-yl)methanone;(5-morpholin-4-yl-1,2-oxazol-3-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone?

The canonical SMILES for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-bromo-3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-2-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-4-ylpyrrolidin-1-yl)methanone;(5-morpholin-4-yl-1,2-oxazol-3-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone is Cc1nn(C)c2cc(-c3cc(C(=O)N4CCCC4c4cccnn4)no3)ccc12.Cc1nn(C)c2cc(-c3cc(C(=O)N4CCCC4c4ccnnc4)no3)ccc12.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1c1ccnc(Br)c1F.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1c1ccncc1F.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1c1nc2ccccc2o1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1c1ncccc1F.O=C(c1cc(N2CCOCC2)on1)N1CCC[C@H]1c1ccccc1.

What is the InChIKey of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-bromo-3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-2-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-4-ylpyrrolidin-1-yl)methanone;(5-morpholin-4-yl-1,2-oxazol-3-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone?

The InChIKey is JURVBOBLMGTWLJ-QRTPZLLISA-N. The full InChI is InChI=1S/C22H17N3O5.2C21H20N6O2.C20H15BrFN3O4.2C20H16FN3O4.C18H21N3O3/c26-22(15-11-19(30-24-15)13-7-8-18-20(10-13)28-12-27-18)25-9-3-5-16(25)21-23-14-4-1-2-6-17(14)29-21;1-13-15-8-7-14(11-19(15)26(2)24-13)20-12-17(25-29-20)21(28)27-10-4-6-18(27)16-5-3-9-22-23-16;1-13-16-6-5-14(10-19(16)26(2)24-13)20-11-17(25-29-20)21(28)27-9-3-4-18(27)15-7-8-22-23-12-15;21-19-18(22)12(5-6-23-19)14-2-1-7-25(14)20(26)13-9-16(29-24-13)11-3-4-15-17(8-11)28-10-27-15;21-13-3-1-7-22-19(13)15-4-2-8-24(15)20(25)14-10-17(28-23-14)12-5-6-16-18(9-12)27-11-26-16;21-14-10-22-6-5-13(14)16-2-1-7-24(16)20(25)15-9-18(28-23-15)12-3-4-17-19(8-12)27-11-26-17;22-18(15-13-17(24-19-15)20-9-11-23-12-10-20)21-8-4-7-16(21)14-5-2-1-3-6-14/h1-2,4,6-8,10-11,16H,3,5,9,12H2;3,5,7-9,11-12,18H,4,6,10H2,1-2H3;5-8,10-12,18H,3-4,9H2,1-2H3;3-6,8-9,14H,1-2,7,10H2;1,3,5-7,9-10,15H,2,4,8,11H2;3-6,8-10,16H,1-2,7,11H2;1-3,5-6,13,16H,4,7-12H2/t;;;;;;16-/m......0/s1.

What are the key properties of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-bromo-3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-2-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-4-ylpyrrolidin-1-yl)methanone;(5-morpholin-4-yl-1,2-oxazol-3-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone?

[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-bromo-3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-2-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-4-ylpyrrolidin-1-yl)methanone;(5-morpholin-4-yl-1,2-oxazol-3-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone has a molecular weight of 2730.62 g/mol, XLogP of 24.79, 21 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(2-bromo-3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-2-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-fluoro-4-pyridinyl)pyrrolidin-1-yl]methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-dimethylindazol-6-yl)-1,2-oxazol-3-yl]-(2-pyridazin-4-ylpyrrolidin-1-yl)methanone;(5-morpholin-4-yl-1,2-oxazol-3-yl)-[(2S)-2-phenylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 159029491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).