4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(2,4-dimethylfuran-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-oxo-1-(2-phenylethyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(2-pyridin-2-yl-1H-imidazol-5-yl)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide

C104H102N30O11 — CID 158821858

About 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(2,4-dimethylfuran-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-oxo-1-(2-phenylethyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(2-pyridin-2-yl-1H-imidazol-5-yl)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(2,4-dimethylfuran-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-oxo-1-(2-phenylethyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(2-pyridin-2-yl-1H-imidazol-5-yl)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 158821858) has the molecular formula C104H102N30O11 and a molecular weight of 1948.16 g/mol. Its IUPAC name is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(2,4-dimethylfuran-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-oxo-1-(2-phenylethyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(2-pyridin-2-yl-1H-imidazol-5-yl)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

• Compound Name: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(2,4-dimethylfuran-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-oxo-1-(2-phenylethyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(2-pyridin-2-yl-1H-imidazol-5-yl)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide
• PubChem CID: 158821858
• Molecular Formula: C104H102N30O11
• Molecular Weight: 1948.16 g/mol
• Exact Mass: 1946.83
• IUPAC Name: 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(2,4-dimethylfuran-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-oxo-1-(2-phenylethyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(2-pyridin-2-yl-1H-imidazol-5-yl)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide
• SMILES: CC(C)(C)c1noc(CCC(=O)Cc2nc(-c3ccccn3)n[nH]2)n1.Cc1coc(C)c1CC(=O)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1cnc(-c2ccccn2)[nH]1)C1CC(=O)N(CCc2ccccc2)C1.O=C(Nc1cnc(-c2ccccn2)[nH]1)C1CCCC1.O=C(Nc1cnc(-c2ccccn2)[nH]1)c1ccc(Oc2ccccc2)nc1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1COc2ccccc2C1
• InChI: InChI=1S/C21H21N5O2.C20H15N5O2.C17H20N6O2.C17H15N5O2.C15H15N5O2.C14H16N4O/c27-19-12-16(14-26(19)11-9-15-6-2-1-3-7-15)21(28)25-18-13-23-20(24-18)17-8-4-5-10-22-17;26-20(25-17-13-23-19(24-17)16-8-4-5-11-21-16)14-9-10-18(22-12-14)27-15-6-2-1-3-7-15;1-17(2,3)16-20-14(25-23-16)8-7-11(24)10-13-19-15(22-21-13)12-6-4-5-9-18-12;23-16(12-9-11-5-1-2-7-14(11)24-10-12)20-17-19-15(21-22-17)13-6-3-4-8-18-13;1-9-8-22-10(2)11(9)7-13(21)17-15-18-14(19-20-15)12-5-3-4-6-16-12;19-14(10-5-1-2-6-10)18-12-9-16-13(17-12)11-7-3-4-8-15-11/h1-8,10,13,16H,9,11-12,14H2,(H,23,24)(H,25,28);1-13H,(H,23,24)(H,25,26);4-6,9H,7-8,10H2,1-3H3,(H,19,21,22);1-8,12H,9-10H2,(H2,19,20,21,22,23);3-6,8H,7H2,1-2H3,(H2,17,18,19,20,21);3-4,7-10H,1-2,5-6H2,(H,16,17)(H,18,19)
• InChIKey: IVYWBYSOKSFAIU-UHFFFAOYSA-N
• XLogP: 15.62
• TPSA: 554.38 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1948.16
LogP ≤ 5	15.62
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(2,4-dimethylfuran-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-oxo-1-(2-phenylethyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(2-pyridin-2-yl-1H-imidazol-5-yl)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide?

The IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(2,4-dimethylfuran-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-oxo-1-(2-phenylethyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(2-pyridin-2-yl-1H-imidazol-5-yl)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 158821858) is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(2,4-dimethylfuran-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-oxo-1-(2-phenylethyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(2-pyridin-2-yl-1H-imidazol-5-yl)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide.

What is the SMILES notation for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(2,4-dimethylfuran-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-oxo-1-(2-phenylethyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(2-pyridin-2-yl-1H-imidazol-5-yl)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide?

The canonical SMILES for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(2,4-dimethylfuran-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-oxo-1-(2-phenylethyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(2-pyridin-2-yl-1H-imidazol-5-yl)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide is CC(C)(C)c1noc(CCC(=O)Cc2nc(-c3ccccn3)n[nH]2)n1.Cc1coc(C)c1CC(=O)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1cnc(-c2ccccn2)[nH]1)C1CC(=O)N(CCc2ccccc2)C1.O=C(Nc1cnc(-c2ccccn2)[nH]1)C1CCCC1.O=C(Nc1cnc(-c2ccccn2)[nH]1)c1ccc(Oc2ccccc2)nc1.O=C(Nc1n[nH]c(-c2ccccn2)n1)C1COc2ccccc2C1.

What is the InChIKey of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(2,4-dimethylfuran-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-oxo-1-(2-phenylethyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(2-pyridin-2-yl-1H-imidazol-5-yl)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide?

The InChIKey is IVYWBYSOKSFAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2.C20H15N5O2.C17H20N6O2.C17H15N5O2.C15H15N5O2.C14H16N4O/c27-19-12-16(14-26(19)11-9-15-6-2-1-3-7-15)21(28)25-18-13-23-20(24-18)17-8-4-5-10-22-17;26-20(25-17-13-23-19(24-17)16-8-4-5-11-21-16)14-9-10-18(22-12-14)27-15-6-2-1-3-7-15;1-17(2,3)16-20-14(25-23-16)8-7-11(24)10-13-19-15(22-21-13)12-6-4-5-9-18-12;23-16(12-9-11-5-1-2-7-14(11)24-10-12)20-17-19-15(21-22-17)13-6-3-4-8-18-13;1-9-8-22-10(2)11(9)7-13(21)17-15-18-14(19-20-15)12-5-3-4-6-16-12;19-14(10-5-1-2-6-10)18-12-9-16-13(17-12)11-7-3-4-8-15-11/h1-8,10,13,16H,9,11-12,14H2,(H,23,24)(H,25,28);1-13H,(H,23,24)(H,25,26);4-6,9H,7-8,10H2,1-3H3,(H,19,21,22);1-8,12H,9-10H2,(H2,19,20,21,22,23);3-6,8H,7H2,1-2H3,(H2,17,18,19,20,21);3-4,7-10H,1-2,5-6H2,(H,16,17)(H,18,19).

What are the key properties of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(2,4-dimethylfuran-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-oxo-1-(2-phenylethyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(2-pyridin-2-yl-1H-imidazol-5-yl)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide?

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(2,4-dimethylfuran-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-oxo-1-(2-phenylethyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(2-pyridin-2-yl-1H-imidazol-5-yl)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 1948.16 g/mol, XLogP of 15.62, 27 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)butan-2-one;2-(2,4-dimethylfuran-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;5-oxo-1-(2-phenylethyl)-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyrrolidine-3-carboxamide;6-phenoxy-N-(2-pyridin-2-yl-1H-imidazol-5-yl)pyridine-3-carboxamide;N-(2-pyridin-2-yl-1H-imidazol-5-yl)cyclopentanecarboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 158821858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).