[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-bromo-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-4-hydroxy-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-methoxy-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone;[2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]methanone;[5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone

C137H125BrFN19O29 — CID 158478475

About [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-bromo-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-4-hydroxy-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-methoxy-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone;[2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]methanone;[5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone

[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-bromo-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-4-hydroxy-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-methoxy-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone;[2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]methanone;[5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone (PubChem CID 158478475) has the molecular formula C137H125BrFN19O29 and a molecular weight of 2600.51 g/mol. Its IUPAC name is [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-bromo-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-4-hydroxy-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-methoxy-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone;[2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]methanone;[5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

• Compound Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-bromo-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-4-hydroxy-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-methoxy-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone;[2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]methanone;[5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
• PubChem CID: 158478475
• Molecular Formula: C137H125BrFN19O29
• Molecular Weight: 2600.51 g/mol
• Exact Mass: 2597.81
• IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-bromo-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-4-hydroxy-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-methoxy-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone;[2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]methanone;[5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
• SMILES: COc1cc(C2CCCN2C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)on1.COc1ccc(-c2cc(C(=O)N3CCCC3c3ccccc3F)no2)nc1.COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3)no2)cn1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CC(O)C[C@H]1c1ccccc1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1C1CCOCC1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1c1cc(Br)no1.O=C(c1cc(-c2ccncc2)on1)N1CCC[C@H]1c1ccccc1
• InChI: InChI=1S/C21H18N2O5.C20H18FN3O3.C20H19N3O3.C20H22N2O5.C19H17N3O6.C19H17N3O2.C18H14BrN3O5/c24-15-9-17(13-4-2-1-3-5-13)23(11-15)21(25)16-10-19(28-22-16)14-6-7-18-20(8-14)27-12-26-18;1-26-13-8-9-16(22-12-13)19-11-17(23-27-19)20(25)24-10-4-7-18(24)14-5-2-3-6-15(14)21;1-25-19-10-9-15(13-21-19)18-12-16(22-26-18)20(24)23-11-5-8-17(23)14-6-3-2-4-7-14;23-20(22-7-1-2-16(22)13-5-8-24-9-6-13)15-11-18(27-21-15)14-3-4-17-19(10-14)26-12-25-17;1-24-18-9-16(28-21-18)13-3-2-6-22(13)19(23)12-8-15(27-20-12)11-4-5-14-17(7-11)26-10-25-14;23-19(16-13-18(24-21-16)15-8-10-20-11-9-15)22-12-4-7-17(22)14-5-2-1-3-6-14;19-17-8-15(27-21-17)12-2-1-5-22(12)18(23)11-7-14(26-20-11)10-3-4-13-16(6-10)25-9-24-13/h1-8,10,15,17,24H,9,11-12H2;2-3,5-6,8-9,11-12,18H,4,7,10H2,1H3;2-4,6-7,9-10,12-13,17H,5,8,11H2,1H3;3-4,10-11,13,16H,1-2,5-9,12H2;4-5,7-9,13H,2-3,6,10H2,1H3;1-3,5-6,8-11,13,17H,4,7,12H2;3-4,6-8,12H,1-2,5,9H2/t15?,17-;;17-;;;17-;/m0.0..0./s1
• InChIKey: HHFRAYHASQVQQF-XNACQBBPSA-N
• XLogP: 24.26
• TPSA: 546.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 41
• Rotatable Bonds: 24
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2600.51
LogP ≤ 5	24.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-bromo-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-4-hydroxy-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-methoxy-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone;[2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]methanone;[5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?

The IUPAC name of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-bromo-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-4-hydroxy-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-methoxy-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone;[2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]methanone;[5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone (CID 158478475) is [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-bromo-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-4-hydroxy-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-methoxy-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone;[2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]methanone;[5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone.

What is the SMILES notation for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-bromo-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-4-hydroxy-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-methoxy-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone;[2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]methanone;[5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?

The canonical SMILES for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-bromo-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-4-hydroxy-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-methoxy-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone;[2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]methanone;[5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone is COc1cc(C2CCCN2C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)on1.COc1ccc(-c2cc(C(=O)N3CCCC3c3ccccc3F)no2)nc1.COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3)no2)cn1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CC(O)C[C@H]1c1ccccc1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1C1CCOCC1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1c1cc(Br)no1.O=C(c1cc(-c2ccncc2)on1)N1CCC[C@H]1c1ccccc1.

What is the InChIKey of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-bromo-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-4-hydroxy-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-methoxy-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone;[2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]methanone;[5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?

The InChIKey is HHFRAYHASQVQQF-XNACQBBPSA-N. The full InChI is InChI=1S/C21H18N2O5.C20H18FN3O3.C20H19N3O3.C20H22N2O5.C19H17N3O6.C19H17N3O2.C18H14BrN3O5/c24-15-9-17(13-4-2-1-3-5-13)23(11-15)21(25)16-10-19(28-22-16)14-6-7-18-20(8-14)27-12-26-18;1-26-13-8-9-16(22-12-13)19-11-17(23-27-19)20(25)24-10-4-7-18(24)14-5-2-3-6-15(14)21;1-25-19-10-9-15(13-21-19)18-12-16(22-26-18)20(24)23-11-5-8-17(23)14-6-3-2-4-7-14;23-20(22-7-1-2-16(22)13-5-8-24-9-6-13)15-11-18(27-21-15)14-3-4-17-19(10-14)26-12-25-17;1-24-18-9-16(28-21-18)13-3-2-6-22(13)19(23)12-8-15(27-20-12)11-4-5-14-17(7-11)26-10-25-14;23-19(16-13-18(24-21-16)15-8-10-20-11-9-15)22-12-4-7-17(22)14-5-2-1-3-6-14;19-17-8-15(27-21-17)12-2-1-5-22(12)18(23)11-7-14(26-20-11)10-3-4-13-16(6-10)25-9-24-13/h1-8,10,15,17,24H,9,11-12H2;2-3,5-6,8-9,11-12,18H,4,7,10H2,1H3;2-4,6-7,9-10,12-13,17H,5,8,11H2,1H3;3-4,10-11,13,16H,1-2,5-9,12H2;4-5,7-9,13H,2-3,6,10H2,1H3;1-3,5-6,8-11,13,17H,4,7,12H2;3-4,6-8,12H,1-2,5,9H2/t15?,17-;;17-;;;17-;/m0.0..0./s1.

What are the key properties of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-bromo-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-4-hydroxy-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-methoxy-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone;[2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]methanone;[5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?

[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-bromo-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-4-hydroxy-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-methoxy-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone;[2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]methanone;[5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 2600.51 g/mol, XLogP of 24.26, 24 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-bromo-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-4-hydroxy-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(3-methoxy-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(oxan-4-yl)pyrrolidin-1-yl]methanone;[2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]methanone;[5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone;[(2S)-2-phenylpyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 158478475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).