4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N',2-dimethyl-N'-phenylbenzohydrazide

C25H20Cl2F3N3O2 — CID 25216767

IUPAC4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N',2-dimethyl-N'-phenylbenzohydrazide
SMILESCc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NN(C)c1ccccc1
InChIInChI=1S/C25H20Cl2F3N3O2/c1-15-10-16(8-9-21(15)23(34)31-33(2)20-6-4-3-5-7-20)22-14-24(35-32-22,25(28,29)30)17-11-18(26)13-19(27)12-17/h3-13H,14H2,1-2H3,(H,31,34)
InChIKeyBUSYZRSTDLGCPA-UHFFFAOYSA-N
MW522.35 g/mol
LogP6.67
Rot. Bonds5

About 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N',2-dimethyl-N'-phenylbenzohydrazide

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N',2-dimethyl-N'-phenylbenzohydrazide (PubChem CID 25216767) has the molecular formula C25H20Cl2F3N3O2 and a molecular weight of 522.35 g/mol. Its IUPAC name is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N',2-dimethyl-N'-phenylbenzohydrazide.

Molecular Properties

Compound Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N',2-dimethyl-N'-phenylbenzohydrazide
PubChem CID25216767
Molecular FormulaC25H20Cl2F3N3O2
Molecular Weight522.35 g/mol
Exact Mass521.09
IUPAC Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N',2-dimethyl-N'-phenylbenzohydrazide
SMILESCc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NN(C)c1ccccc1
InChIInChI=1S/C25H20Cl2F3N3O2/c1-15-10-16(8-9-21(15)23(34)31-33(2)20-6-4-3-5-7-20)22-14-24(35-32-22,25(28,29)30)17-11-18(26)13-19(27)12-17/h3-13H,14H2,1-2H3,(H,31,34)
InChIKeyBUSYZRSTDLGCPA-UHFFFAOYSA-N
XLogP6.67
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.35
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N',2-dimethyl-N'-phenylbenzohydrazide?
The IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N',2-dimethyl-N'-phenylbenzohydrazide (CID 25216767) is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N',2-dimethyl-N'-phenylbenzohydrazide.
What is the SMILES notation for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N',2-dimethyl-N'-phenylbenzohydrazide?
The canonical SMILES for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N',2-dimethyl-N'-phenylbenzohydrazide is Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NN(C)c1ccccc1.
What is the InChIKey of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N',2-dimethyl-N'-phenylbenzohydrazide?
The InChIKey is BUSYZRSTDLGCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2F3N3O2/c1-15-10-16(8-9-21(15)23(34)31-33(2)20-6-4-3-5-7-20)22-14-24(35-32-22,25(28,29)30)17-11-18(26)13-19(27)12-17/h3-13H,14H2,1-2H3,(H,31,34).
What are the key properties of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N',2-dimethyl-N'-phenylbenzohydrazide?
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N',2-dimethyl-N'-phenylbenzohydrazide has a molecular weight of 522.35 g/mol, XLogP of 6.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N',2-dimethyl-N'-phenylbenzohydrazide is sourced from PubChem (CID 25216767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).