deuterium monohydride;N'-hydroxy-3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzenecarboximidamide;methane;3-[3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

C37H49F3N6O8 — CID 172944819

About deuterium monohydride;N'-hydroxy-3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzenecarboximidamide;methane;3-[3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

deuterium monohydride;N'-hydroxy-3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzenecarboximidamide;methane;3-[3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 172944819) has the molecular formula C37H49F3N6O8 and a molecular weight of 763.83 g/mol. Its IUPAC name is deuterium monohydride;N'-hydroxy-3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzenecarboximidamide;methane;3-[3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: deuterium monohydride;N'-hydroxy-3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzenecarboximidamide;methane;3-[3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
• PubChem CID: 172944819
• Molecular Formula: C37H49F3N6O8
• Molecular Weight: 763.83 g/mol
• Exact Mass: 763.36
• IUPAC Name: deuterium monohydride;N'-hydroxy-3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzenecarboximidamide;methane;3-[3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
• SMILES: C.COCc1cc(-c2noc(C(F)(F)F)n2)cc(C)c1OCCCc1cc(C)no1.COCc1cc(/C(N)=N/O)cc(C)c1OCCCc1cc(C)no1.[H][2H]
• InChI: InChI=1S/C19H20F3N3O4.C17H23N3O4.CH4.H2/c1-11-7-13(17-23-18(29-25-17)19(20,21)22)9-14(10-26-3)16(11)27-6-4-5-15-8-12(2)24-28-15;1-11-7-13(17(18)19-21)9-14(10-22-3)16(11)23-6-4-5-15-8-12(2)20-24-15;;/h7-9H,4-6,10H2,1-3H3;7-9,21H,4-6,10H2,1-3H3,(H2,18,19);1H4;1H/i;;;1+1
• InChIKey: ABVZLKNMTTXITA-SGNQUONSSA-N
• XLogP: 7.94
• TPSA: 186.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	763.83
LogP ≤ 5	7.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;N'-hydroxy-3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzenecarboximidamide;methane;3-[3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?

The IUPAC name of deuterium monohydride;N'-hydroxy-3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzenecarboximidamide;methane;3-[3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 172944819) is deuterium monohydride;N'-hydroxy-3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzenecarboximidamide;methane;3-[3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

What is the SMILES notation for deuterium monohydride;N'-hydroxy-3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzenecarboximidamide;methane;3-[3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?

The canonical SMILES for deuterium monohydride;N'-hydroxy-3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzenecarboximidamide;methane;3-[3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is C.COCc1cc(-c2noc(C(F)(F)F)n2)cc(C)c1OCCCc1cc(C)no1.COCc1cc(/C(N)=N/O)cc(C)c1OCCCc1cc(C)no1.[H][2H].

What is the InChIKey of deuterium monohydride;N'-hydroxy-3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzenecarboximidamide;methane;3-[3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?

The InChIKey is ABVZLKNMTTXITA-SGNQUONSSA-N. The full InChI is InChI=1S/C19H20F3N3O4.C17H23N3O4.CH4.H2/c1-11-7-13(17-23-18(29-25-17)19(20,21)22)9-14(10-26-3)16(11)27-6-4-5-15-8-12(2)24-28-15;1-11-7-13(17(18)19-21)9-14(10-22-3)16(11)23-6-4-5-15-8-12(2)20-24-15;;/h7-9H,4-6,10H2,1-3H3;7-9,21H,4-6,10H2,1-3H3,(H2,18,19);1H4;1H/i;;;1+1.

What are the key properties of deuterium monohydride;N'-hydroxy-3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzenecarboximidamide;methane;3-[3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?

deuterium monohydride;N'-hydroxy-3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzenecarboximidamide;methane;3-[3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 763.83 g/mol, XLogP of 7.94, 16 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for deuterium monohydride;N'-hydroxy-3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]benzenecarboximidamide;methane;3-[3-(methoxymethyl)-5-methyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 172944819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).