4-[(5R)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N'-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzohydrazide

C23H20Cl2F4N4O4 — CID 142606843

About 4-[(5R)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N'-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzohydrazide

4-[(5R)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N'-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzohydrazide (PubChem CID 142606843) has the molecular formula C23H20Cl2F4N4O4 and a molecular weight of 563.34 g/mol. Its IUPAC name is 4-[(5R)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N'-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzohydrazide.

Molecular Properties

• Compound Name: 4-[(5R)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N'-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzohydrazide
• PubChem CID: 142606843
• Molecular Formula: C23H20Cl2F4N4O4
• Molecular Weight: 563.34 g/mol
• Exact Mass: 562.08
• IUPAC Name: 4-[(5R)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N'-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzohydrazide
• SMILES: CCN1OCC(NNC(=O)c2ccc(C3=NO[C@](c4cc(Cl)c(F)c(Cl)c4)(C(F)(F)F)C3)cc2C)C1=O
• InChI: InChI=1S/C23H20Cl2F4N4O4/c1-3-33-21(35)18(10-36-33)30-31-20(34)14-5-4-12(6-11(14)2)17-9-22(37-32-17,23(27,28)29)13-7-15(24)19(26)16(25)8-13/h4-8,18,30H,3,9-10H2,1-2H3,(H,31,34)/t18?,22-/m1/s1
• InChIKey: BEMYHNKFUWAXQJ-LMNIDFBRSA-N
• XLogP: 4.42
• TPSA: 92.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.34
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N'-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzohydrazide?

The IUPAC name of 4-[(5R)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N'-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzohydrazide (CID 142606843) is 4-[(5R)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N'-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzohydrazide.

What is the SMILES notation for 4-[(5R)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N'-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzohydrazide?

The canonical SMILES for 4-[(5R)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N'-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzohydrazide is CCN1OCC(NNC(=O)c2ccc(C3=NO[C@](c4cc(Cl)c(F)c(Cl)c4)(C(F)(F)F)C3)cc2C)C1=O.

What is the InChIKey of 4-[(5R)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N'-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzohydrazide?

The InChIKey is BEMYHNKFUWAXQJ-LMNIDFBRSA-N. The full InChI is InChI=1S/C23H20Cl2F4N4O4/c1-3-33-21(35)18(10-36-33)30-31-20(34)14-5-4-12(6-11(14)2)17-9-22(37-32-17,23(27,28)29)13-7-15(24)19(26)16(25)8-13/h4-8,18,30H,3,9-10H2,1-2H3,(H,31,34)/t18?,22-/m1/s1.

What are the key properties of 4-[(5R)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N'-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzohydrazide?

4-[(5R)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N'-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzohydrazide has a molecular weight of 563.34 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5R)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N'-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzohydrazide is sourced from PubChem (CID 142606843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).