[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3-fluorophenyl)piperidin-1-yl]methanone;[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;N-(6-phenoxypyridazin-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide;N-(2-phenoxy-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;(5-phenyl-1,2-oxazol-3-yl)-(4-phenylpiperidin-1-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone

C145H124ClF2N19O18 — CID 158780479

About [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3-fluorophenyl)piperidin-1-yl]methanone;[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;N-(6-phenoxypyridazin-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide;N-(2-phenoxy-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;(5-phenyl-1,2-oxazol-3-yl)-(4-phenylpiperidin-1-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone

[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3-fluorophenyl)piperidin-1-yl]methanone;[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;N-(6-phenoxypyridazin-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide;N-(2-phenoxy-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;(5-phenyl-1,2-oxazol-3-yl)-(4-phenylpiperidin-1-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone (PubChem CID 158780479) has the molecular formula C145H124ClF2N19O18 and a molecular weight of 2494.15 g/mol. Its IUPAC name is [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3-fluorophenyl)piperidin-1-yl]methanone;[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;N-(6-phenoxypyridazin-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide;N-(2-phenoxy-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;(5-phenyl-1,2-oxazol-3-yl)-(4-phenylpiperidin-1-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;(4-phenylpiperidin-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]-[4-(3-fluorophenyl)piperidin-1-yl]methanone;[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;N-(6-phenoxypyridazin-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide;N-(2-phenoxy-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;(5-phenyl-1,2-oxazol-3-yl)-(4-phenylpiperidin-1-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
• PubChem CID: 158780479
• Molecular Formula: C145H124ClF2N19O18
• Molecular Weight: 2494.15 g/mol
• Exact Mass: 2491.90
• IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3-fluorophenyl)piperidin-1-yl]methanone;[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;N-(6-phenoxypyridazin-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide;N-(2-phenoxy-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;(5-phenyl-1,2-oxazol-3-yl)-(4-phenylpiperidin-1-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
• SMILES: O=C(Nc1ccnc(Oc2ccccc2)c1)c1cc(-c2ccccc2)on1.O=C(Nc1cnnc(Oc2ccccc2)c1)c1cc(-c2ccccc2)on1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCC(c2cccc(F)c2)CC1.O=C(c1cc(-c2ccccc2)on1)N1CCC(c2cc(F)ccc2Cl)CC1.O=C(c1cc(-c2ccccc2)on1)N1CCC(c2ccccc2)CC1.O=C(c1cc(-c2cccnc2)on1)N1CCC(c2ccccc2)CC1.O=C(c1cc(-c2ccncc2)on1)N1CCC(c2ccccc2)CC1
• InChI: InChI=1S/C22H19FN2O4.C21H18ClFN2O2.C21H15N3O3.C21H20N2O2.C20H14N4O3.2C20H19N3O2/c23-17-3-1-2-15(10-17)14-6-8-25(9-7-14)22(26)18-12-20(29-24-18)16-4-5-19-21(11-16)28-13-27-19;22-18-7-6-16(23)12-17(18)14-8-10-25(11-9-14)21(26)19-13-20(27-24-19)15-4-2-1-3-5-15;25-21(18-14-19(27-24-18)15-7-3-1-4-8-15)23-16-11-12-22-20(13-16)26-17-9-5-2-6-10-17;24-21(19-15-20(25-22-19)18-9-5-2-6-10-18)23-13-11-17(12-14-23)16-7-3-1-4-8-16;25-20(17-12-18(27-24-17)14-7-3-1-4-8-14)22-15-11-19(23-21-13-15)26-16-9-5-2-6-10-16;24-20(18-13-19(25-22-18)17-7-4-10-21-14-17)23-11-8-16(9-12-23)15-5-2-1-3-6-15;24-20(18-14-19(25-22-18)17-6-10-21-11-7-17)23-12-8-16(9-13-23)15-4-2-1-3-5-15/h1-5,10-12,14H,6-9,13H2;1-7,12-14H,8-11H2;1-14H,(H,22,23,25);1-10,15,17H,11-14H2;1-13H,(H,22,23,25);1-7,10,13-14,16H,8-9,11-12H2;1-7,10-11,14,16H,8-9,12-13H2
• InChIKey: IQZYSAGRIPNYSH-UHFFFAOYSA-N
• XLogP: 30.21
• TPSA: 443.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2494.15
LogP ≤ 5	30.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3-fluorophenyl)piperidin-1-yl]methanone;[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;N-(6-phenoxypyridazin-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide;N-(2-phenoxy-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;(5-phenyl-1,2-oxazol-3-yl)-(4-phenylpiperidin-1-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;(4-phenylpiperidin-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]-[4-(3-fluorophenyl)piperidin-1-yl]methanone;[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;N-(6-phenoxypyridazin-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide;N-(2-phenoxy-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;(5-phenyl-1,2-oxazol-3-yl)-(4-phenylpiperidin-1-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone (CID 158780479) is [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3-fluorophenyl)piperidin-1-yl]methanone;[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;N-(6-phenoxypyridazin-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide;N-(2-phenoxy-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;(5-phenyl-1,2-oxazol-3-yl)-(4-phenylpiperidin-1-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;(4-phenylpiperidin-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]-[4-(3-fluorophenyl)piperidin-1-yl]methanone;[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;N-(6-phenoxypyridazin-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide;N-(2-phenoxy-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;(5-phenyl-1,2-oxazol-3-yl)-(4-phenylpiperidin-1-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;(4-phenylpiperidin-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]-[4-(3-fluorophenyl)piperidin-1-yl]methanone;[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;N-(6-phenoxypyridazin-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide;N-(2-phenoxy-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;(5-phenyl-1,2-oxazol-3-yl)-(4-phenylpiperidin-1-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone is O=C(Nc1ccnc(Oc2ccccc2)c1)c1cc(-c2ccccc2)on1.O=C(Nc1cnnc(Oc2ccccc2)c1)c1cc(-c2ccccc2)on1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCC(c2cccc(F)c2)CC1.O=C(c1cc(-c2ccccc2)on1)N1CCC(c2cc(F)ccc2Cl)CC1.O=C(c1cc(-c2ccccc2)on1)N1CCC(c2ccccc2)CC1.O=C(c1cc(-c2cccnc2)on1)N1CCC(c2ccccc2)CC1.O=C(c1cc(-c2ccncc2)on1)N1CCC(c2ccccc2)CC1.

What is the InChIKey of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3-fluorophenyl)piperidin-1-yl]methanone;[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;N-(6-phenoxypyridazin-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide;N-(2-phenoxy-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;(5-phenyl-1,2-oxazol-3-yl)-(4-phenylpiperidin-1-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?

The InChIKey is IQZYSAGRIPNYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O4.C21H18ClFN2O2.C21H15N3O3.C21H20N2O2.C20H14N4O3.2C20H19N3O2/c23-17-3-1-2-15(10-17)14-6-8-25(9-7-14)22(26)18-12-20(29-24-18)16-4-5-19-21(11-16)28-13-27-19;22-18-7-6-16(23)12-17(18)14-8-10-25(11-9-14)21(26)19-13-20(27-24-19)15-4-2-1-3-5-15;25-21(18-14-19(27-24-18)15-7-3-1-4-8-15)23-16-11-12-22-20(13-16)26-17-9-5-2-6-10-17;24-21(19-15-20(25-22-19)18-9-5-2-6-10-18)23-13-11-17(12-14-23)16-7-3-1-4-8-16;25-20(17-12-18(27-24-17)14-7-3-1-4-8-14)22-15-11-19(23-21-13-15)26-16-9-5-2-6-10-16;24-20(18-13-19(25-22-18)17-7-4-10-21-14-17)23-11-8-16(9-12-23)15-5-2-1-3-6-15;24-20(18-14-19(25-22-18)17-6-10-21-11-7-17)23-12-8-16(9-13-23)15-4-2-1-3-5-15/h1-5,10-12,14H,6-9,13H2;1-7,12-14H,8-11H2;1-14H,(H,22,23,25);1-10,15,17H,11-14H2;1-13H,(H,22,23,25);1-7,10,13-14,16H,8-9,11-12H2;1-7,10-11,14,16H,8-9,12-13H2.

What are the key properties of [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3-fluorophenyl)piperidin-1-yl]methanone;[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;N-(6-phenoxypyridazin-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide;N-(2-phenoxy-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;(5-phenyl-1,2-oxazol-3-yl)-(4-phenylpiperidin-1-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone?

[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3-fluorophenyl)piperidin-1-yl]methanone;[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;N-(6-phenoxypyridazin-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide;N-(2-phenoxy-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;(5-phenyl-1,2-oxazol-3-yl)-(4-phenylpiperidin-1-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 2494.15 g/mol, XLogP of 30.21, 25 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-[4-(3-fluorophenyl)piperidin-1-yl]methanone;[4-(2-chloro-5-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone;N-(6-phenoxypyridazin-4-yl)-5-phenyl-1,2-oxazole-3-carboxamide;N-(2-phenoxy-4-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide;(5-phenyl-1,2-oxazol-3-yl)-(4-phenylpiperidin-1-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone;(4-phenylpiperidin-1-yl)-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 158780479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).