2-amino-N-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide

C23H19F3N6O5S — CID 134219146

IUPAC2-amino-N-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide
SMILESNc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(=O)N(N)Cc1nc(CS(=O)(=O)c2ccccn2)no1
InChIInChI=1S/C23H19F3N6O5S/c24-23(25,26)36-16-7-4-14(5-8-16)15-6-9-18(27)17(11-15)22(33)32(28)12-20-30-19(31-37-20)13-38(34,35)21-3-1-2-10-29-21/h1-11H,12-13,27-28H2
InChIKeyLGCMCRWXSQNCFM-UHFFFAOYSA-N
MW548.50 g/mol
LogP3.10
Rot. Bonds8

About 2-amino-N-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide

2-amino-N-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide (PubChem CID 134219146) has the molecular formula C23H19F3N6O5S and a molecular weight of 548.50 g/mol. Its IUPAC name is 2-amino-N-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide.

Molecular Properties

Compound Name2-amino-N-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide
PubChem CID134219146
Molecular FormulaC23H19F3N6O5S
Molecular Weight548.50 g/mol
Exact Mass548.11
IUPAC Name2-amino-N-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide
SMILESNc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(=O)N(N)Cc1nc(CS(=O)(=O)c2ccccn2)no1
InChIInChI=1S/C23H19F3N6O5S/c24-23(25,26)36-16-7-4-14(5-8-16)15-6-9-18(27)17(11-15)22(33)32(28)12-20-30-19(31-37-20)13-38(34,35)21-3-1-2-10-29-21/h1-11H,12-13,27-28H2
InChIKeyLGCMCRWXSQNCFM-UHFFFAOYSA-N
XLogP3.10
TPSA167.53 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.50
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-amino-N-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide?
The IUPAC name of 2-amino-N-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide (CID 134219146) is 2-amino-N-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide.
What is the SMILES notation for 2-amino-N-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide?
The canonical SMILES for 2-amino-N-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide is Nc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(=O)N(N)Cc1nc(CS(=O)(=O)c2ccccn2)no1.
What is the InChIKey of 2-amino-N-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide?
The InChIKey is LGCMCRWXSQNCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O5S/c24-23(25,26)36-16-7-4-14(5-8-16)15-6-9-18(27)17(11-15)22(33)32(28)12-20-30-19(31-37-20)13-38(34,35)21-3-1-2-10-29-21/h1-11H,12-13,27-28H2.
What are the key properties of 2-amino-N-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide?
2-amino-N-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide has a molecular weight of 548.50 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide is sourced from PubChem (CID 134219146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).