2-hydroxypropanoic acid;N'-(2-hydroxypropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-yl]ethanol

C54H51F9N6O9 — CID 159815312

About 2-hydroxypropanoic acid;N'-(2-hydroxypropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-yl]ethanol

2-hydroxypropanoic acid;N'-(2-hydroxypropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-yl]ethanol (PubChem CID 159815312) has the molecular formula C54H51F9N6O9 and a molecular weight of 1099.02 g/mol. Its IUPAC name is 2-hydroxypropanoic acid;N'-(2-hydroxypropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-hydroxypropanoic acid;N'-(2-hydroxypropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-yl]ethanol
• PubChem CID: 159815312
• Molecular Formula: C54H51F9N6O9
• Molecular Weight: 1099.02 g/mol
• Exact Mass: 1098.36
• IUPAC Name: 2-hydroxypropanoic acid;N'-(2-hydroxypropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-yl]ethanol
• SMILES: CC(O)C(=O)NNC(=O)c1ccccc1Cc1ccc(C(F)(F)F)cc1.CC(O)C(=O)O.CC(O)c1nnc(-c2ccccc2Cc2ccc(C(F)(F)F)cc2)o1.NNC(=O)c1ccccc1Cc1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C18H17F3N2O3.C18H15F3N2O2.C15H13F3N2O.C3H6O3/c1-11(24)16(25)22-23-17(26)15-5-3-2-4-13(15)10-12-6-8-14(9-7-12)18(19,20)21;1-11(24)16-22-23-17(25-16)15-5-3-2-4-13(15)10-12-6-8-14(9-7-12)18(19,20)21;16-15(17,18)12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)14(21)20-19;1-2(4)3(5)6/h2-9,11,24H,10H2,1H3,(H,22,25)(H,23,26);2-9,11,24H,10H2,1H3;1-8H,9,19H2,(H,20,21);2,4H,1H3,(H,5,6)
• InChIKey: NLNULOWKTNTUCJ-UHFFFAOYSA-N
• XLogP: 9.19
• TPSA: 250.23 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1099.02
LogP ≤ 5	9.19
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoic acid;N'-(2-hydroxypropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-yl]ethanol?

The IUPAC name of 2-hydroxypropanoic acid;N'-(2-hydroxypropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-yl]ethanol (CID 159815312) is 2-hydroxypropanoic acid;N'-(2-hydroxypropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-yl]ethanol.

What is the SMILES notation for 2-hydroxypropanoic acid;N'-(2-hydroxypropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-yl]ethanol?

The canonical SMILES for 2-hydroxypropanoic acid;N'-(2-hydroxypropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-yl]ethanol is CC(O)C(=O)NNC(=O)c1ccccc1Cc1ccc(C(F)(F)F)cc1.CC(O)C(=O)O.CC(O)c1nnc(-c2ccccc2Cc2ccc(C(F)(F)F)cc2)o1.NNC(=O)c1ccccc1Cc1ccc(C(F)(F)F)cc1.

What is the InChIKey of 2-hydroxypropanoic acid;N'-(2-hydroxypropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-yl]ethanol?

The InChIKey is NLNULOWKTNTUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3.C18H15F3N2O2.C15H13F3N2O.C3H6O3/c1-11(24)16(25)22-23-17(26)15-5-3-2-4-13(15)10-12-6-8-14(9-7-12)18(19,20)21;1-11(24)16-22-23-17(25-16)15-5-3-2-4-13(15)10-12-6-8-14(9-7-12)18(19,20)21;16-15(17,18)12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)14(21)20-19;1-2(4)3(5)6/h2-9,11,24H,10H2,1H3,(H,22,25)(H,23,26);2-9,11,24H,10H2,1H3;1-8H,9,19H2,(H,20,21);2,4H,1H3,(H,5,6).

What are the key properties of 2-hydroxypropanoic acid;N'-(2-hydroxypropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-yl]ethanol?

2-hydroxypropanoic acid;N'-(2-hydroxypropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-yl]ethanol has a molecular weight of 1099.02 g/mol, XLogP of 9.19, 12 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxypropanoic acid;N'-(2-hydroxypropanoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;2-[[4-(trifluoromethyl)phenyl]methyl]benzohydrazide;1-[5-[2-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-oxadiazol-2-yl]ethanol is sourced from PubChem (CID 159815312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).