(3-benzylpyrrolidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[3-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone

C119H106Cl3F2N17O12 — CID 162110431

About (3-benzylpyrrolidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[3-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone

(3-benzylpyrrolidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[3-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 162110431) has the molecular formula C119H106Cl3F2N17O12 and a molecular weight of 2110.62 g/mol. Its IUPAC name is (3-benzylpyrrolidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[3-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

• Compound Name: (3-benzylpyrrolidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[3-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone
• PubChem CID: 162110431
• Molecular Formula: C119H106Cl3F2N17O12
• Molecular Weight: 2110.62 g/mol
• Exact Mass: 2107.72
• IUPAC Name: (3-benzylpyrrolidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[3-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone
• SMILES: Cc1ccc(-c2oncc2C(=O)N2CCC(Cc3ccccc3)C2)cc1.Cc1ccc(-c2oncc2C(=O)N2CCC(c3ccc(F)cc3)C2)cc1.Cc1ccc(-c2oncc2C(=O)N2CCC(c3cnccn3)C2)cc1.O=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2ccc(F)cc2)C1.O=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2cccnc2)C1.O=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2cnccn2)C1
• InChI: InChI=1S/C22H22N2O2.C21H19FN2O2.C20H16ClFN2O2.C19H16ClN3O2.C19H18N4O2.C18H15ClN4O2/c1-16-7-9-19(10-8-16)21-20(14-23-26-21)22(25)24-12-11-18(15-24)13-17-5-3-2-4-6-17;1-14-2-4-16(5-3-14)20-19(12-23-26-20)21(25)24-11-10-17(13-24)15-6-8-18(22)9-7-15;21-18-4-2-1-3-16(18)19-17(11-23-26-19)20(25)24-10-9-14(12-24)13-5-7-15(22)8-6-13;20-17-6-2-1-5-15(17)18-16(11-22-25-18)19(24)23-9-7-14(12-23)13-4-3-8-21-10-13;1-13-2-4-14(5-3-13)18-16(10-22-25-18)19(24)23-9-6-15(12-23)17-11-20-7-8-21-17;19-15-4-2-1-3-13(15)17-14(9-22-25-17)18(24)23-8-5-12(11-23)16-10-20-6-7-21-16/h2-10,14,18H,11-13,15H2,1H3;2-9,12,17H,10-11,13H2,1H3;1-8,11,14H,9-10,12H2;1-6,8,10-11,14H,7,9,12H2;2-5,7-8,10-11,15H,6,9,12H2,1H3;1-4,6-7,9-10,12H,5,8,11H2
• InChIKey: ZGBRCWLXPAGFDE-UHFFFAOYSA-N
• XLogP: 24.04
• TPSA: 342.49 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 19
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2110.62
LogP ≤ 5	24.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (3-benzylpyrrolidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[3-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone?

The IUPAC name of (3-benzylpyrrolidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[3-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone (CID 162110431) is (3-benzylpyrrolidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[3-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone.

What is the SMILES notation for (3-benzylpyrrolidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[3-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone?

The canonical SMILES for (3-benzylpyrrolidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[3-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone is Cc1ccc(-c2oncc2C(=O)N2CCC(Cc3ccccc3)C2)cc1.Cc1ccc(-c2oncc2C(=O)N2CCC(c3ccc(F)cc3)C2)cc1.Cc1ccc(-c2oncc2C(=O)N2CCC(c3cnccn3)C2)cc1.O=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2ccc(F)cc2)C1.O=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2cccnc2)C1.O=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2cnccn2)C1.

What is the InChIKey of (3-benzylpyrrolidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[3-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone?

The InChIKey is ZGBRCWLXPAGFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2.C21H19FN2O2.C20H16ClFN2O2.C19H16ClN3O2.C19H18N4O2.C18H15ClN4O2/c1-16-7-9-19(10-8-16)21-20(14-23-26-21)22(25)24-12-11-18(15-24)13-17-5-3-2-4-6-17;1-14-2-4-16(5-3-14)20-19(12-23-26-20)21(25)24-11-10-17(13-24)15-6-8-18(22)9-7-15;21-18-4-2-1-3-16(18)19-17(11-23-26-19)20(25)24-10-9-14(12-24)13-5-7-15(22)8-6-13;20-17-6-2-1-5-15(17)18-16(11-22-25-18)19(24)23-9-7-14(12-23)13-4-3-8-21-10-13;1-13-2-4-14(5-3-13)18-16(10-22-25-18)19(24)23-9-6-15(12-23)17-11-20-7-8-21-17;19-15-4-2-1-3-13(15)17-14(9-22-25-17)18(24)23-8-5-12(11-23)16-10-20-6-7-21-16/h2-10,14,18H,11-13,15H2,1H3;2-9,12,17H,10-11,13H2,1H3;1-8,11,14H,9-10,12H2;1-6,8,10-11,14H,7,9,12H2;2-5,7-8,10-11,15H,6,9,12H2,1H3;1-4,6-7,9-10,12H,5,8,11H2.

What are the key properties of (3-benzylpyrrolidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[3-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone?

(3-benzylpyrrolidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[3-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 2110.62 g/mol, XLogP of 24.04, 19 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (3-benzylpyrrolidin-1-yl)-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[3-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-4-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 162110431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).