[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S,4S)-4-fluoro-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylindazol-7-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone;1-methyl-4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one;1-methyl-5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one

C141H130FN21O28 — CID 160526306

About [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S,4S)-4-fluoro-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylindazol-7-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone;1-methyl-4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one;1-methyl-5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one

[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S,4S)-4-fluoro-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylindazol-7-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone;1-methyl-4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one;1-methyl-5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one (PubChem CID 160526306) has the molecular formula C141H130FN21O28 and a molecular weight of 2585.71 g/mol. Its IUPAC name is [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S,4S)-4-fluoro-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylindazol-7-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone;1-methyl-4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one;1-methyl-5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one.

Molecular Properties

• Compound Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S,4S)-4-fluoro-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylindazol-7-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone;1-methyl-4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one;1-methyl-5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one
• PubChem CID: 160526306
• Molecular Formula: C141H130FN21O28
• Molecular Weight: 2585.71 g/mol
• Exact Mass: 2583.94
• IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S,4S)-4-fluoro-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylindazol-7-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone;1-methyl-4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one;1-methyl-5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one
• SMILES: CN1CCC(C2CCCN2C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)CC1.Cn1cc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3)no2)ccc1=O.Cn1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3)no2)cc1=O.Cn1ncc2cccc(C3CCCN3C(=O)c3cc(-c4ccc5c(c4)OCO5)on3)c21.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1c1ncco1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCC[C@H]1c1ccon1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1C[C@@H](F)C[C@H]1c1ccccc1
• InChI: InChI=1S/C23H20N4O4.C21H17FN2O4.C21H25N3O4.2C20H19N3O3.2C18H15N3O5/c1-26-22-15(12-24-26)4-2-5-16(22)18-6-3-9-27(18)23(28)17-11-20(31-25-17)14-7-8-19-21(10-14)30-13-29-19;22-15-9-17(13-4-2-1-3-5-13)24(11-15)21(25)16-10-19(28-23-16)14-6-7-18-20(8-14)27-12-26-18;1-23-9-6-14(7-10-23)17-3-2-8-24(17)21(25)16-12-19(28-22-16)15-4-5-18-20(11-15)27-13-26-18;1-22-13-15(9-10-19(22)24)18-12-16(21-26-18)20(25)23-11-5-8-17(23)14-6-3-2-4-7-14;1-22-11-9-15(12-19(22)24)18-13-16(21-26-18)20(25)23-10-5-8-17(23)14-6-3-2-4-7-14;22-18(21-6-1-2-13(21)17-19-5-7-23-17)12-9-15(26-20-12)11-3-4-14-16(8-11)25-10-24-14;22-18(21-6-1-2-14(21)12-5-7-25-19-12)13-9-16(26-20-13)11-3-4-15-17(8-11)24-10-23-15/h2,4-5,7-8,10-12,18H,3,6,9,13H2,1H3;1-8,10,15,17H,9,11-12H2;4-5,11-12,14,17H,2-3,6-10,13H2,1H3;2-4,6-7,9-10,12-13,17H,5,8,11H2,1H3;2-4,6-7,9,11-13,17H,5,8,10H2,1H3;3-5,7-9,13H,1-2,6,10H2;3-5,7-9,14H,1-2,6,10H2/t;15-,17-;;2*17-;;14-/m.0.00.0/s1
• InChIKey: QUYAJAOZIUWQFN-UKLXQIKOSA-N
• XLogP: 23.05
• TPSA: 533.80 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 21
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2585.71
LogP ≤ 5	23.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S,4S)-4-fluoro-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylindazol-7-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone;1-methyl-4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one;1-methyl-5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one?

The IUPAC name of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S,4S)-4-fluoro-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylindazol-7-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone;1-methyl-4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one;1-methyl-5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one (CID 160526306) is [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S,4S)-4-fluoro-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylindazol-7-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone;1-methyl-4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one;1-methyl-5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one.

What is the SMILES notation for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S,4S)-4-fluoro-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylindazol-7-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone;1-methyl-4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one;1-methyl-5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one?

The canonical SMILES for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S,4S)-4-fluoro-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylindazol-7-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone;1-methyl-4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one;1-methyl-5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one is CN1CCC(C2CCCN2C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)CC1.Cn1cc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3)no2)ccc1=O.Cn1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3)no2)cc1=O.Cn1ncc2cccc(C3CCCN3C(=O)c3cc(-c4ccc5c(c4)OCO5)on3)c21.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1c1ncco1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCC[C@H]1c1ccon1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1C[C@@H](F)C[C@H]1c1ccccc1.

What is the InChIKey of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S,4S)-4-fluoro-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylindazol-7-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone;1-methyl-4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one;1-methyl-5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one?

The InChIKey is QUYAJAOZIUWQFN-UKLXQIKOSA-N. The full InChI is InChI=1S/C23H20N4O4.C21H17FN2O4.C21H25N3O4.2C20H19N3O3.2C18H15N3O5/c1-26-22-15(12-24-26)4-2-5-16(22)18-6-3-9-27(18)23(28)17-11-20(31-25-17)14-7-8-19-21(10-14)30-13-29-19;22-15-9-17(13-4-2-1-3-5-13)24(11-15)21(25)16-10-19(28-23-16)14-6-7-18-20(8-14)27-12-26-18;1-23-9-6-14(7-10-23)17-3-2-8-24(17)21(25)16-12-19(28-22-16)15-4-5-18-20(11-15)27-13-26-18;1-22-13-15(9-10-19(22)24)18-12-16(21-26-18)20(25)23-11-5-8-17(23)14-6-3-2-4-7-14;1-22-11-9-15(12-19(22)24)18-13-16(21-26-18)20(25)23-10-5-8-17(23)14-6-3-2-4-7-14;22-18(21-6-1-2-13(21)17-19-5-7-23-17)12-9-15(26-20-12)11-3-4-14-16(8-11)25-10-24-14;22-18(21-6-1-2-14(21)12-5-7-25-19-12)13-9-16(26-20-13)11-3-4-15-17(8-11)24-10-23-15/h2,4-5,7-8,10-12,18H,3,6,9,13H2,1H3;1-8,10,15,17H,9,11-12H2;4-5,11-12,14,17H,2-3,6-10,13H2,1H3;2-4,6-7,9-10,12-13,17H,5,8,11H2,1H3;2-4,6-7,9,11-13,17H,5,8,10H2,1H3;3-5,7-9,13H,1-2,6,10H2;3-5,7-9,14H,1-2,6,10H2/t;15-,17-;;2*17-;;14-/m.0.00.0/s1.

What are the key properties of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S,4S)-4-fluoro-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylindazol-7-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone;1-methyl-4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one;1-methyl-5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one?

[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S,4S)-4-fluoro-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylindazol-7-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone;1-methyl-4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one;1-methyl-5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one has a molecular weight of 2585.71 g/mol, XLogP of 23.05, 21 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S,4S)-4-fluoro-2-phenylpyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylindazol-7-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[2-(1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[(2S)-2-(1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone;1-methyl-4-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one;1-methyl-5-[3-[(2S)-2-phenylpyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]pyridin-2-one is sourced from PubChem (CID 160526306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).