[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

C141H124N18O30 — CID 159651217

About [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 159651217) has the molecular formula C141H124N18O30 and a molecular weight of 2550.64 g/mol. Its IUPAC name is [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
• PubChem CID: 159651217
• Molecular Formula: C141H124N18O30
• Molecular Weight: 2550.64 g/mol
• Exact Mass: 2548.87
• IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
• SMILES: COc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)cc1.COc1ccc([C@H]2CCCN2C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)cc1.Cc1cc(C2CCCN2C(=O)c2cc(-c3ccco3)on2)on1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1c1ccccn1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1c1cccnc1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1c1ccncc1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCC[C@@H]1c1ccccc1
• InChI: InChI=1S/2C22H20N2O5.C21H18N2O4.3C20H17N3O4.C16H15N3O4/c2*1-26-16-7-4-14(5-8-16)18-3-2-10-24(18)22(25)17-12-20(29-23-17)15-6-9-19-21(11-15)28-13-27-19;24-21(23-10-4-7-17(23)14-5-2-1-3-6-14)16-12-19(27-22-16)15-8-9-18-20(11-15)26-13-25-18;24-20(23-8-2-4-16(23)14-3-1-7-21-11-14)15-10-18(27-22-15)13-5-6-17-19(9-13)26-12-25-17;24-20(23-9-1-2-16(23)13-5-7-21-8-6-13)15-11-18(27-22-15)14-3-4-17-19(10-14)26-12-25-17;24-20(23-9-3-5-16(23)14-4-1-2-8-21-14)15-11-18(27-22-15)13-6-7-17-19(10-13)26-12-25-17;1-10-8-14(22-17-10)12-4-2-6-19(12)16(20)11-9-15(23-18-11)13-5-3-7-21-13/h2*4-9,11-12,18H,2-3,10,13H2,1H3;1-3,5-6,8-9,11-12,17H,4,7,10,13H2;1,3,5-7,9-11,16H,2,4,8,12H2;3-8,10-11,16H,1-2,9,12H2;1-2,4,6-8,10-11,16H,3,5,9,12H2;3,5,7-9,12H,2,4,6H2,1H3/t2*18-;17-;;;;/m101..../s1
• InChIKey: MRPBMPXMVKPKNR-FPKXIFNKSA-N
• XLogP: 25.70
• TPSA: 531.44 Ų
• H-Bond Acceptors: 41
• Rotatable Bonds: 23
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2550.64
LogP ≤ 5	25.70
H-Bond Donors ≤ 5	0
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]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?

The IUPAC name of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (CID 159651217) is [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?

The canonical SMILES for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is COc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)cc1.COc1ccc([C@H]2CCCN2C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)cc1.Cc1cc(C2CCCN2C(=O)c2cc(-c3ccco3)on2)on1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1c1ccccn1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1c1cccnc1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1c1ccncc1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCC[C@@H]1c1ccccc1.

What is the InChIKey of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?

The InChIKey is MRPBMPXMVKPKNR-FPKXIFNKSA-N. The full InChI is InChI=1S/2C22H20N2O5.C21H18N2O4.3C20H17N3O4.C16H15N3O4/c2*1-26-16-7-4-14(5-8-16)18-3-2-10-24(18)22(25)17-12-20(29-23-17)15-6-9-19-21(11-15)28-13-27-19;24-21(23-10-4-7-17(23)14-5-2-1-3-6-14)16-12-19(27-22-16)15-8-9-18-20(11-15)26-13-25-18;24-20(23-8-2-4-16(23)14-3-1-7-21-11-14)15-10-18(27-22-15)13-5-6-17-19(9-13)26-12-25-17;24-20(23-9-1-2-16(23)13-5-7-21-8-6-13)15-11-18(27-22-15)14-3-4-17-19(10-14)26-12-25-17;24-20(23-9-3-5-16(23)14-4-1-2-8-21-14)15-11-18(27-22-15)13-6-7-17-19(10-13)26-12-25-17;1-10-8-14(22-17-10)12-4-2-6-19(12)16(20)11-9-15(23-18-11)13-5-3-7-21-13/h2*4-9,11-12,18H,2-3,10,13H2,1H3;1-3,5-6,8-9,11-12,17H,4,7,10,13H2;1,3,5-7,9-11,16H,2,4,8,12H2;3-8,10-11,16H,1-2,9,12H2;1-2,4,6-8,10-11,16H,3,5,9,12H2;3,5,7-9,12H,2,4,6H2,1H3/t2*18-;17-;;;;/m101..../s1.

What are the key properties of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?

[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 2550.64 g/mol, XLogP of 25.70, 23 rotatable bonds, 0 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]-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2R)-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 159651217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).