2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;ethyl 5-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]-1,2-oxazole-3-carboxylate;2-[(4-methyl-3-phenyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one

C72H56F12N22O13S — CID 158107177

About 2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;ethyl 5-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]-1,2-oxazole-3-carboxylate;2-[(4-methyl-3-phenyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one

2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;ethyl 5-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]-1,2-oxazole-3-carboxylate;2-[(4-methyl-3-phenyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one (PubChem CID 158107177) has the molecular formula C72H56F12N22O13S and a molecular weight of 1697.42 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;ethyl 5-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]-1,2-oxazole-3-carboxylate;2-[(4-methyl-3-phenyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one.

Molecular Properties

• Compound Name: 2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;ethyl 5-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]-1,2-oxazole-3-carboxylate;2-[(4-methyl-3-phenyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
• PubChem CID: 158107177
• Molecular Formula: C72H56F12N22O13S
• Molecular Weight: 1697.42 g/mol
• Exact Mass: 1696.39
• IUPAC Name: 2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;ethyl 5-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]-1,2-oxazole-3-carboxylate;2-[(4-methyl-3-phenyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
• SMILES: CCOC(=O)c1cc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)on1.CCc1cc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)on1.Cc1c(-c2ccccc2)noc1Cn1nc(-c2cnc(OCC(F)(F)F)nc2)ccc1=O.O=c1ccc(-c2cnc(OCC(F)(F)F)nc2)nn1Cc1nnc(-c2ccccn2)s1
• InChI: InChI=1S/C21H16F3N5O3.C18H12F3N7O2S.C17H14F3N5O5.C16H14F3N5O3/c1-13-17(32-28-19(13)14-5-3-2-4-6-14)11-29-18(30)8-7-16(27-29)15-9-25-20(26-10-15)31-12-21(22,23)24;19-18(20,21)10-30-17-23-7-11(8-24-17)12-4-5-15(29)28(27-12)9-14-25-26-16(31-14)13-3-1-2-6-22-13;1-2-28-15(27)13-5-11(30-24-13)8-25-14(26)4-3-12(23-25)10-6-21-16(22-7-10)29-9-17(18,19)20;1-2-11-5-12(27-23-11)8-24-14(25)4-3-13(22-24)10-6-20-15(21-7-10)26-9-16(17,18)19/h2-10H,11-12H2,1H3;1-8H,9-10H2;3-7H,2,8-9H2,1H3;3-7H,2,8-9H2,1H3
• InChIKey: FPZCIMQUYATWCR-UHFFFAOYSA-N
• XLogP: 10.35
• TPSA: 422.66 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 25
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1697.42
LogP ≤ 5	10.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;ethyl 5-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]-1,2-oxazole-3-carboxylate;2-[(4-methyl-3-phenyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?

The IUPAC name of 2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;ethyl 5-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]-1,2-oxazole-3-carboxylate;2-[(4-methyl-3-phenyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one (CID 158107177) is 2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;ethyl 5-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]-1,2-oxazole-3-carboxylate;2-[(4-methyl-3-phenyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one.

What is the SMILES notation for 2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;ethyl 5-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]-1,2-oxazole-3-carboxylate;2-[(4-methyl-3-phenyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?

The canonical SMILES for 2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;ethyl 5-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]-1,2-oxazole-3-carboxylate;2-[(4-methyl-3-phenyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one is CCOC(=O)c1cc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)on1.CCc1cc(Cn2nc(-c3cnc(OCC(F)(F)F)nc3)ccc2=O)on1.Cc1c(-c2ccccc2)noc1Cn1nc(-c2cnc(OCC(F)(F)F)nc2)ccc1=O.O=c1ccc(-c2cnc(OCC(F)(F)F)nc2)nn1Cc1nnc(-c2ccccn2)s1.

What is the InChIKey of 2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;ethyl 5-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]-1,2-oxazole-3-carboxylate;2-[(4-methyl-3-phenyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?

The InChIKey is FPZCIMQUYATWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O3.C18H12F3N7O2S.C17H14F3N5O5.C16H14F3N5O3/c1-13-17(32-28-19(13)14-5-3-2-4-6-14)11-29-18(30)8-7-16(27-29)15-9-25-20(26-10-15)31-12-21(22,23)24;19-18(20,21)10-30-17-23-7-11(8-24-17)12-4-5-15(29)28(27-12)9-14-25-26-16(31-14)13-3-1-2-6-22-13;1-2-28-15(27)13-5-11(30-24-13)8-25-14(26)4-3-12(23-25)10-6-21-16(22-7-10)29-9-17(18,19)20;1-2-11-5-12(27-23-11)8-24-14(25)4-3-13(22-24)10-6-20-15(21-7-10)26-9-16(17,18)19/h2-10H,11-12H2,1H3;1-8H,9-10H2;3-7H,2,8-9H2,1H3;3-7H,2,8-9H2,1H3.

What are the key properties of 2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;ethyl 5-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]-1,2-oxazole-3-carboxylate;2-[(4-methyl-3-phenyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one?

2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;ethyl 5-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]-1,2-oxazole-3-carboxylate;2-[(4-methyl-3-phenyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one has a molecular weight of 1697.42 g/mol, XLogP of 10.35, 25 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;ethyl 5-[[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]methyl]-1,2-oxazole-3-carboxylate;2-[(4-methyl-3-phenyl-1,2-oxazol-5-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one;2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)methyl]-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one is sourced from PubChem (CID 158107177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).