2-amino-4-oxo-4-pyridin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]but-2-enamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylazetidin-1-yl)methanone;(3-benzylazetidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;N-(1-benzylpyrazol-4-yl)-5-(dimethylamino)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;(6-phenyl-2,6-diazaspiro[3.3]heptan-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone

C148H127F3N24O25 — CID 162293226

About 2-amino-4-oxo-4-pyridin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]but-2-enamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylazetidin-1-yl)methanone;(3-benzylazetidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;N-(1-benzylpyrazol-4-yl)-5-(dimethylamino)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;(6-phenyl-2,6-diazaspiro[3.3]heptan-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone

2-amino-4-oxo-4-pyridin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]but-2-enamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylazetidin-1-yl)methanone;(3-benzylazetidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;N-(1-benzylpyrazol-4-yl)-5-(dimethylamino)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;(6-phenyl-2,6-diazaspiro[3.3]heptan-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone (PubChem CID 162293226) has the molecular formula C148H127F3N24O25 and a molecular weight of 2698.78 g/mol. Its IUPAC name is 2-amino-4-oxo-4-pyridin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]but-2-enamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylazetidin-1-yl)methanone;(3-benzylazetidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;N-(1-benzylpyrazol-4-yl)-5-(dimethylamino)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;(6-phenyl-2,6-diazaspiro[3.3]heptan-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

• Compound Name: 2-amino-4-oxo-4-pyridin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]but-2-enamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylazetidin-1-yl)methanone;(3-benzylazetidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;N-(1-benzylpyrazol-4-yl)-5-(dimethylamino)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;(6-phenyl-2,6-diazaspiro[3.3]heptan-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
• PubChem CID: 162293226
• Molecular Formula: C148H127F3N24O25
• Molecular Weight: 2698.78 g/mol
• Exact Mass: 2696.94
• IUPAC Name: 2-amino-4-oxo-4-pyridin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]but-2-enamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylazetidin-1-yl)methanone;(3-benzylazetidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;N-(1-benzylpyrazol-4-yl)-5-(dimethylamino)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;(6-phenyl-2,6-diazaspiro[3.3]heptan-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
• SMILES: CN(C)c1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)no1.NC(=CC(=O)c1ccncc1)C(=O)Nc1cnn(Cc2cnccc2C(F)(F)F)c1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CC(Oc2ccccc2)C1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCC1c1ccccc1.O=C(c1cc(-c2ccccc2)on1)N1CC2(C1)CN(c1ccccc1)C2.O=C(c1cc(-c2ccco2)on1)N1CC(Cc2ccccc2)C1.O=C(c1cc(-c2ccco2)on1)N1CC(Oc2ccccc2)C1.O=C(c1cc(-c2ccco2)on1)N1CC(c2ccccc2)C1
• InChI: InChI=1S/C21H19N3O2.C20H16N2O5.C20H16N2O4.C19H15F3N6O2.C18H16N2O3.C17H14N2O4.C17H14N2O3.C16H17N5O2/c25-20(18-11-19(26-22-18)16-7-3-1-4-8-16)24-14-21(15-24)12-23(13-21)17-9-5-2-6-10-17;23-20(22-10-15(11-22)26-14-4-2-1-3-5-14)16-9-18(27-21-16)13-6-7-17-19(8-13)25-12-24-17;23-20(22-9-8-16(22)13-4-2-1-3-5-13)15-11-18(26-21-15)14-6-7-17-19(10-14)25-12-24-17;20-19(21,22)15-3-6-25-8-13(15)10-28-11-14(9-26-28)27-18(30)16(23)7-17(29)12-1-4-24-5-2-12;21-18(15-10-17(23-19-15)16-7-4-8-22-16)20-11-14(12-20)9-13-5-2-1-3-6-13;20-17(14-9-16(23-18-14)15-7-4-8-21-15)19-10-13(11-19)22-12-5-2-1-3-6-12;20-17(14-9-16(22-18-14)15-7-4-8-21-15)19-10-13(11-19)12-5-2-1-3-6-12;1-20(2)15-8-14(19-23-15)16(22)18-13-9-17-21(11-13)10-12-6-4-3-5-7-12/h1-11H,12-15H2;1-9,15H,10-12H2;1-7,10-11,16H,8-9,12H2;1-9,11H,10,23H2,(H,27,30);1-8,10,14H,9,11-12H2;1-9,13H,10-11H2;1-9,13H,10-11H2;3-9,11H,10H2,1-2H3,(H,18,22)
• InChIKey: MKJFZGLZBWVWLB-UHFFFAOYSA-N
• XLogP: 23.84
• TPSA: 568.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 41
• Rotatable Bonds: 32
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2698.78
LogP ≤ 5	23.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxo-4-pyridin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]but-2-enamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylazetidin-1-yl)methanone;(3-benzylazetidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;N-(1-benzylpyrazol-4-yl)-5-(dimethylamino)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;(6-phenyl-2,6-diazaspiro[3.3]heptan-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone?

The IUPAC name of 2-amino-4-oxo-4-pyridin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]but-2-enamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylazetidin-1-yl)methanone;(3-benzylazetidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;N-(1-benzylpyrazol-4-yl)-5-(dimethylamino)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;(6-phenyl-2,6-diazaspiro[3.3]heptan-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone (CID 162293226) is 2-amino-4-oxo-4-pyridin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]but-2-enamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylazetidin-1-yl)methanone;(3-benzylazetidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;N-(1-benzylpyrazol-4-yl)-5-(dimethylamino)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;(6-phenyl-2,6-diazaspiro[3.3]heptan-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone.

What is the SMILES notation for 2-amino-4-oxo-4-pyridin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]but-2-enamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylazetidin-1-yl)methanone;(3-benzylazetidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;N-(1-benzylpyrazol-4-yl)-5-(dimethylamino)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;(6-phenyl-2,6-diazaspiro[3.3]heptan-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone?

The canonical SMILES for 2-amino-4-oxo-4-pyridin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]but-2-enamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylazetidin-1-yl)methanone;(3-benzylazetidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;N-(1-benzylpyrazol-4-yl)-5-(dimethylamino)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;(6-phenyl-2,6-diazaspiro[3.3]heptan-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone is CN(C)c1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)no1.NC(=CC(=O)c1ccncc1)C(=O)Nc1cnn(Cc2cnccc2C(F)(F)F)c1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CC(Oc2ccccc2)C1.O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCC1c1ccccc1.O=C(c1cc(-c2ccccc2)on1)N1CC2(C1)CN(c1ccccc1)C2.O=C(c1cc(-c2ccco2)on1)N1CC(Cc2ccccc2)C1.O=C(c1cc(-c2ccco2)on1)N1CC(Oc2ccccc2)C1.O=C(c1cc(-c2ccco2)on1)N1CC(c2ccccc2)C1.

What is the InChIKey of 2-amino-4-oxo-4-pyridin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]but-2-enamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylazetidin-1-yl)methanone;(3-benzylazetidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;N-(1-benzylpyrazol-4-yl)-5-(dimethylamino)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;(6-phenyl-2,6-diazaspiro[3.3]heptan-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone?

The InChIKey is MKJFZGLZBWVWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2.C20H16N2O5.C20H16N2O4.C19H15F3N6O2.C18H16N2O3.C17H14N2O4.C17H14N2O3.C16H17N5O2/c25-20(18-11-19(26-22-18)16-7-3-1-4-8-16)24-14-21(15-24)12-23(13-21)17-9-5-2-6-10-17;23-20(22-10-15(11-22)26-14-4-2-1-3-5-14)16-9-18(27-21-16)13-6-7-17-19(8-13)25-12-24-17;23-20(22-9-8-16(22)13-4-2-1-3-5-13)15-11-18(26-21-15)14-6-7-17-19(10-14)25-12-24-17;20-19(21,22)15-3-6-25-8-13(15)10-28-11-14(9-26-28)27-18(30)16(23)7-17(29)12-1-4-24-5-2-12;21-18(15-10-17(23-19-15)16-7-4-8-22-16)20-11-14(12-20)9-13-5-2-1-3-6-13;20-17(14-9-16(23-18-14)15-7-4-8-21-15)19-10-13(11-19)22-12-5-2-1-3-6-12;20-17(14-9-16(22-18-14)15-7-4-8-21-15)19-10-13(11-19)12-5-2-1-3-6-12;1-20(2)15-8-14(19-23-15)16(22)18-13-9-17-21(11-13)10-12-6-4-3-5-7-12/h1-11H,12-15H2;1-9,15H,10-12H2;1-7,10-11,16H,8-9,12H2;1-9,11H,10,23H2,(H,27,30);1-8,10,14H,9,11-12H2;1-9,13H,10-11H2;1-9,13H,10-11H2;3-9,11H,10H2,1-2H3,(H,18,22).

What are the key properties of 2-amino-4-oxo-4-pyridin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]but-2-enamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylazetidin-1-yl)methanone;(3-benzylazetidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;N-(1-benzylpyrazol-4-yl)-5-(dimethylamino)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;(6-phenyl-2,6-diazaspiro[3.3]heptan-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone?

2-amino-4-oxo-4-pyridin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]but-2-enamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylazetidin-1-yl)methanone;(3-benzylazetidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;N-(1-benzylpyrazol-4-yl)-5-(dimethylamino)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;(6-phenyl-2,6-diazaspiro[3.3]heptan-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone has a molecular weight of 2698.78 g/mol, XLogP of 23.84, 32 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-oxo-4-pyridin-4-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]but-2-enamide;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(2-phenylazetidin-1-yl)methanone;(3-benzylazetidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;N-(1-benzylpyrazol-4-yl)-5-(dimethylamino)-1,2-oxazole-3-carboxamide;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenoxyazetidin-1-yl)methanone;[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;(6-phenyl-2,6-diazaspiro[3.3]heptan-2-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 162293226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).