1-(1,3-benzoxazol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione

C156H121F12N19O19 — CID 159139301

About 1-(1,3-benzoxazol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione

1-(1,3-benzoxazol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione (PubChem CID 159139301) has the molecular formula C156H121F12N19O19 and a molecular weight of 2793.77 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione.

Molecular Properties

• Compound Name: 1-(1,3-benzoxazol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione
• PubChem CID: 159139301
• Molecular Formula: C156H121F12N19O19
• Molecular Weight: 2793.77 g/mol
• Exact Mass: 2791.89
• IUPAC Name: 1-(1,3-benzoxazol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione
• SMILES: Cc1cccc(C(=O)CCC(=O)c2ccc3[nH]ncc3c2)c1.Cc1ccccc1C(=O)CCC(=O)c1ccc2[nH]ncc2c1.O=C(CCC(=O)c1ccc2[nH]ncc2c1)c1ccc(C(F)(F)F)cc1.O=C(CCC(=O)c1ccc2[nH]ncc2c1)c1ccc(F)cc1.O=C(CCC(=O)c1ccc2[nH]ncc2c1)c1cccc(C(F)(F)F)c1.O=C(CCC(=O)c1ccc2[nH]ncc2c1)c1cccc(F)c1.O=C(CCC(=O)c1ccc2ocnc2c1)c1ccnnc1.O=C(CCC(=O)c1ccccc1C(F)(F)F)c1ccc2[nH]ncc2c1.O=C(CCC(=O)c1ccccc1F)c1ccc2[nH]ncc2c1
• InChI: InChI=1S/3C18H13F3N2O2.2C18H16N2O2.3C17H13FN2O2.C15H11N3O3/c19-18(20,21)14-4-1-11(2-5-14)16(24)7-8-17(25)12-3-6-15-13(9-12)10-22-23-15;19-18(20,21)14-3-1-2-11(9-14)16(24)6-7-17(25)12-4-5-15-13(8-12)10-22-23-15;19-18(20,21)14-4-2-1-3-13(14)17(25)8-7-16(24)11-5-6-15-12(9-11)10-22-23-15;1-12-3-2-4-13(9-12)17(21)7-8-18(22)14-5-6-16-15(10-14)11-19-20-16;1-12-4-2-3-5-15(12)18(22)9-8-17(21)13-6-7-16-14(10-13)11-19-20-16;18-14-4-1-11(2-5-14)16(21)7-8-17(22)12-3-6-15-13(9-12)10-19-20-15;18-14-3-1-2-11(9-14)16(21)6-7-17(22)12-4-5-15-13(8-12)10-19-20-15;18-14-4-2-1-3-13(14)17(22)8-7-16(21)11-5-6-15-12(9-11)10-19-20-15;19-13(2-3-14(20)11-5-6-17-18-8-11)10-1-4-15-12(7-10)16-9-21-15/h1-6,9-10H,7-8H2,(H,22,23);1-5,8-10H,6-7H2,(H,22,23);1-6,9-10H,7-8H2,(H,22,23);2-6,9-11H,7-8H2,1H3,(H,19,20);2-7,10-11H,8-9H2,1H3,(H,19,20);1-6,9-10H,7-8H2,(H,19,20);1-5,8-10H,6-7H2,(H,19,20);1-6,9-10H,7-8H2,(H,19,20);1,4-9H,2-3H2
• InChIKey: KHWYABLSCCYGHK-UHFFFAOYSA-N
• XLogP: 33.82
• TPSA: 588.51 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 45
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2793.77
LogP ≤ 5	33.82
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione?

The IUPAC name of 1-(1,3-benzoxazol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione (CID 159139301) is 1-(1,3-benzoxazol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione.

What is the SMILES notation for 1-(1,3-benzoxazol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione?

The canonical SMILES for 1-(1,3-benzoxazol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione is Cc1cccc(C(=O)CCC(=O)c2ccc3[nH]ncc3c2)c1.Cc1ccccc1C(=O)CCC(=O)c1ccc2[nH]ncc2c1.O=C(CCC(=O)c1ccc2[nH]ncc2c1)c1ccc(C(F)(F)F)cc1.O=C(CCC(=O)c1ccc2[nH]ncc2c1)c1ccc(F)cc1.O=C(CCC(=O)c1ccc2[nH]ncc2c1)c1cccc(C(F)(F)F)c1.O=C(CCC(=O)c1ccc2[nH]ncc2c1)c1cccc(F)c1.O=C(CCC(=O)c1ccc2ocnc2c1)c1ccnnc1.O=C(CCC(=O)c1ccccc1C(F)(F)F)c1ccc2[nH]ncc2c1.O=C(CCC(=O)c1ccccc1F)c1ccc2[nH]ncc2c1.

What is the InChIKey of 1-(1,3-benzoxazol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione?

The InChIKey is KHWYABLSCCYGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H13F3N2O2.2C18H16N2O2.3C17H13FN2O2.C15H11N3O3/c19-18(20,21)14-4-1-11(2-5-14)16(24)7-8-17(25)12-3-6-15-13(9-12)10-22-23-15;19-18(20,21)14-3-1-2-11(9-14)16(24)6-7-17(25)12-4-5-15-13(8-12)10-22-23-15;19-18(20,21)14-4-2-1-3-13(14)17(25)8-7-16(24)11-5-6-15-12(9-11)10-22-23-15;1-12-3-2-4-13(9-12)17(21)7-8-18(22)14-5-6-16-15(10-14)11-19-20-16;1-12-4-2-3-5-15(12)18(22)9-8-17(21)13-6-7-16-14(10-13)11-19-20-16;18-14-4-1-11(2-5-14)16(21)7-8-17(22)12-3-6-15-13(9-12)10-19-20-15;18-14-3-1-2-11(9-14)16(21)6-7-17(22)12-4-5-15-13(8-12)10-19-20-15;18-14-4-2-1-3-13(14)17(22)8-7-16(21)11-5-6-15-12(9-11)10-19-20-15;19-13(2-3-14(20)11-5-6-17-18-8-11)10-1-4-15-12(7-10)16-9-21-15/h1-6,9-10H,7-8H2,(H,22,23);1-5,8-10H,6-7H2,(H,22,23);1-6,9-10H,7-8H2,(H,22,23);2-6,9-11H,7-8H2,1H3,(H,19,20);2-7,10-11H,8-9H2,1H3,(H,19,20);1-6,9-10H,7-8H2,(H,19,20);1-5,8-10H,6-7H2,(H,19,20);1-6,9-10H,7-8H2,(H,19,20);1,4-9H,2-3H2.

What are the key properties of 1-(1,3-benzoxazol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione?

1-(1,3-benzoxazol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione has a molecular weight of 2793.77 g/mol, XLogP of 33.82, 45 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzoxazol-5-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(2-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(3-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(4-fluorophenyl)-4-(1H-indazol-5-yl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(2-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-(3-methylphenyl)butane-1,4-dione;1-(1H-indazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1H-indazol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione is sourced from PubChem (CID 159139301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).