4-cyclohexyl-6-[4-(difluoromethyl)-5-methyl-1,2-oxazol-3-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene

C29H28F6N4O2 — CID 177328277

About 4-cyclohexyl-6-[4-(difluoromethyl)-5-methyl-1,2-oxazol-3-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene

4-cyclohexyl-6-[4-(difluoromethyl)-5-methyl-1,2-oxazol-3-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene (PubChem CID 177328277) has the molecular formula C29H28F6N4O2 and a molecular weight of 578.56 g/mol. Its IUPAC name is 4-cyclohexyl-6-[4-(difluoromethyl)-5-methyl-1,2-oxazol-3-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene.

Molecular Properties

• Compound Name: 4-cyclohexyl-6-[4-(difluoromethyl)-5-methyl-1,2-oxazol-3-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene
• PubChem CID: 177328277
• Molecular Formula: C29H28F6N4O2
• Molecular Weight: 578.56 g/mol
• Exact Mass: 578.21
• IUPAC Name: 4-cyclohexyl-6-[4-(difluoromethyl)-5-methyl-1,2-oxazol-3-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene
• SMILES: Cc1cccc(F)c1.Cc1onc(-c2cc(C3CCCCC3)c(=O)n(Cc3ncccc3C(F)(F)F)n2)c1C(F)F
• InChI: InChI=1S/C22H21F5N4O2.C7H7F/c1-12-18(20(23)24)19(30-33-12)16-10-14(13-6-3-2-4-7-13)21(32)31(29-16)11-17-15(22(25,26)27)8-5-9-28-17;1-6-3-2-4-7(8)5-6/h5,8-10,13,20H,2-4,6-7,11H2,1H3;2-5H,1H3
• InChIKey: AYBUIPDAFNNNSA-UHFFFAOYSA-N
• XLogP: 7.79
• TPSA: 73.81 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.56
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-[4-(difluoromethyl)-5-methyl-1,2-oxazol-3-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene?

The IUPAC name of 4-cyclohexyl-6-[4-(difluoromethyl)-5-methyl-1,2-oxazol-3-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene (CID 177328277) is 4-cyclohexyl-6-[4-(difluoromethyl)-5-methyl-1,2-oxazol-3-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene.

What is the SMILES notation for 4-cyclohexyl-6-[4-(difluoromethyl)-5-methyl-1,2-oxazol-3-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene?

The canonical SMILES for 4-cyclohexyl-6-[4-(difluoromethyl)-5-methyl-1,2-oxazol-3-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene is Cc1cccc(F)c1.Cc1onc(-c2cc(C3CCCCC3)c(=O)n(Cc3ncccc3C(F)(F)F)n2)c1C(F)F.

What is the InChIKey of 4-cyclohexyl-6-[4-(difluoromethyl)-5-methyl-1,2-oxazol-3-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene?

The InChIKey is AYBUIPDAFNNNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F5N4O2.C7H7F/c1-12-18(20(23)24)19(30-33-12)16-10-14(13-6-3-2-4-7-13)21(32)31(29-16)11-17-15(22(25,26)27)8-5-9-28-17;1-6-3-2-4-7(8)5-6/h5,8-10,13,20H,2-4,6-7,11H2,1H3;2-5H,1H3.

What are the key properties of 4-cyclohexyl-6-[4-(difluoromethyl)-5-methyl-1,2-oxazol-3-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene?

4-cyclohexyl-6-[4-(difluoromethyl)-5-methyl-1,2-oxazol-3-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene has a molecular weight of 578.56 g/mol, XLogP of 7.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclohexyl-6-[4-(difluoromethyl)-5-methyl-1,2-oxazol-3-yl]-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one;1-fluoro-3-methylbenzene is sourced from PubChem (CID 177328277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).