2-amino-1-(3-phenylpyrrolidin-1-yl)-4-pyridin-2-ylbut-2-ene-1,4-dione;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-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]-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylpyrrolidin-1-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone

C139H129F2N17O24 — CID 162282049

About 2-amino-1-(3-phenylpyrrolidin-1-yl)-4-pyridin-2-ylbut-2-ene-1,4-dione;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-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]-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylpyrrolidin-1-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone

2-amino-1-(3-phenylpyrrolidin-1-yl)-4-pyridin-2-ylbut-2-ene-1,4-dione;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-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]-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylpyrrolidin-1-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 162282049) has the molecular formula C139H129F2N17O24 and a molecular weight of 2459.65 g/mol. Its IUPAC name is 2-amino-1-(3-phenylpyrrolidin-1-yl)-4-pyridin-2-ylbut-2-ene-1,4-dione;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-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]-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylpyrrolidin-1-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

• Compound Name: 2-amino-1-(3-phenylpyrrolidin-1-yl)-4-pyridin-2-ylbut-2-ene-1,4-dione;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-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]-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylpyrrolidin-1-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone
• PubChem CID: 162282049
• Molecular Formula: C139H129F2N17O24
• Molecular Weight: 2459.65 g/mol
• Exact Mass: 2457.94
• IUPAC Name: 2-amino-1-(3-phenylpyrrolidin-1-yl)-4-pyridin-2-ylbut-2-ene-1,4-dione;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-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]-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylpyrrolidin-1-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone
• SMILES: CC(C)c1cc(C(=O)N2CCC(c3cccc(F)c3)C2)no1.COc1ccc(C2CCCN2C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)cc1.Cc1cc(C2CCCN2C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)on1.Cc1cccc(C2CCCN2C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)c1.NC(=CC(=O)c1ccccn1)C(=O)N1CCC(c2ccccc2)C1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1c1ccccc1.O=C(c1cc(-c2ccccn2)on1)N1CCC(c2cccc(F)c2)C1
• InChI: InChI=1S/C22H20N2O5.C22H20N2O4.C21H18N2O4.C19H16FN3O2.C19H17N3O5.C19H19N3O2.C17H19FN2O2/c1-26-16-7-4-14(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;1-14-4-2-5-15(10-14)18-6-3-9-24(18)22(25)17-12-20(28-23-17)16-7-8-19-21(11-16)27-13-26-19;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;20-15-5-3-4-13(10-15)14-7-9-23(12-14)19(24)17-11-18(25-22-17)16-6-1-2-8-21-16;1-11-7-17(27-20-11)14-3-2-6-22(14)19(23)13-9-16(26-21-13)12-4-5-15-18(8-12)25-10-24-15;20-16(12-18(23)17-8-4-5-10-21-17)19(24)22-11-9-15(13-22)14-6-2-1-3-7-14;1-11(2)16-9-15(19-22-16)17(21)20-7-6-13(10-20)12-4-3-5-14(18)8-12/h4-9,11-12,18H,2-3,10,13H2,1H3;2,4-5,7-8,10-12,18H,3,6,9,13H2,1H3;1-3,5-6,8-9,11-12,17H,4,7,10,13H2;1-6,8,10-11,14H,7,9,12H2;4-5,7-9,14H,2-3,6,10H2,1H3;1-8,10,12,15H,9,11,13,20H2;3-5,8-9,11,13H,6-7,10H2,1-2H3
• InChIKey: RRFCLMDUWPBFRD-UHFFFAOYSA-N
• XLogP: 25.00
• TPSA: 476.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 23
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2459.65
LogP ≤ 5	25.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-phenylpyrrolidin-1-yl)-4-pyridin-2-ylbut-2-ene-1,4-dione;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-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]-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylpyrrolidin-1-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone?

The IUPAC name of 2-amino-1-(3-phenylpyrrolidin-1-yl)-4-pyridin-2-ylbut-2-ene-1,4-dione;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-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]-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylpyrrolidin-1-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone (CID 162282049) is 2-amino-1-(3-phenylpyrrolidin-1-yl)-4-pyridin-2-ylbut-2-ene-1,4-dione;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-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]-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylpyrrolidin-1-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone.

What is the SMILES notation for 2-amino-1-(3-phenylpyrrolidin-1-yl)-4-pyridin-2-ylbut-2-ene-1,4-dione;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-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]-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylpyrrolidin-1-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone?

The canonical SMILES for 2-amino-1-(3-phenylpyrrolidin-1-yl)-4-pyridin-2-ylbut-2-ene-1,4-dione;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-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]-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylpyrrolidin-1-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CCC(c3cccc(F)c3)C2)no1.COc1ccc(C2CCCN2C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)cc1.Cc1cc(C2CCCN2C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)on1.Cc1cccc(C2CCCN2C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)c1.NC(=CC(=O)c1ccccn1)C(=O)N1CCC(c2ccccc2)C1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1c1ccccc1.O=C(c1cc(-c2ccccn2)on1)N1CCC(c2cccc(F)c2)C1.

What is the InChIKey of 2-amino-1-(3-phenylpyrrolidin-1-yl)-4-pyridin-2-ylbut-2-ene-1,4-dione;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-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]-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylpyrrolidin-1-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone?

The InChIKey is RRFCLMDUWPBFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5.C22H20N2O4.C21H18N2O4.C19H16FN3O2.C19H17N3O5.C19H19N3O2.C17H19FN2O2/c1-26-16-7-4-14(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;1-14-4-2-5-15(10-14)18-6-3-9-24(18)22(25)17-12-20(28-23-17)16-7-8-19-21(11-16)27-13-26-19;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;20-15-5-3-4-13(10-15)14-7-9-23(12-14)19(24)17-11-18(25-22-17)16-6-1-2-8-21-16;1-11-7-17(27-20-11)14-3-2-6-22(14)19(23)13-9-16(26-21-13)12-4-5-15-18(8-12)25-10-24-15;20-16(12-18(23)17-8-4-5-10-21-17)19(24)22-11-9-15(13-22)14-6-2-1-3-7-14;1-11(2)16-9-15(19-22-16)17(21)20-7-6-13(10-20)12-4-3-5-14(18)8-12/h4-9,11-12,18H,2-3,10,13H2,1H3;2,4-5,7-8,10-12,18H,3,6,9,13H2,1H3;1-3,5-6,8-9,11-12,17H,4,7,10,13H2;1-6,8,10-11,14H,7,9,12H2;4-5,7-9,14H,2-3,6,10H2,1H3;1-8,10,12,15H,9,11,13,20H2;3-5,8-9,11,13H,6-7,10H2,1-2H3.

What are the key properties of 2-amino-1-(3-phenylpyrrolidin-1-yl)-4-pyridin-2-ylbut-2-ene-1,4-dione;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-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]-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylpyrrolidin-1-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone?

2-amino-1-(3-phenylpyrrolidin-1-yl)-4-pyridin-2-ylbut-2-ene-1,4-dione;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-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]-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylpyrrolidin-1-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 2459.65 g/mol, XLogP of 25.00, 23 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-(3-phenylpyrrolidin-1-yl)-4-pyridin-2-ylbut-2-ene-1,4-dione;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-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]-[2-(3-methylphenyl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylpyrrolidin-1-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone;[3-(3-fluorophenyl)pyrrolidin-1-yl]-(5-pyridin-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 162282049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).