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

C22H17F3N6O3 — CID 134219135

IUPAC2-amino-N-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide
SMILESNc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(=O)N(N)Cc1noc(-c2ccccn2)n1
InChIInChI=1S/C22H17F3N6O3/c23-22(24,25)33-15-7-4-13(5-8-15)14-6-9-17(26)16(11-14)21(32)31(27)12-19-29-20(34-30-19)18-3-1-2-10-28-18/h1-11H,12,26-27H2
InChIKeyLFLYQQJHYYYUOM-UHFFFAOYSA-N
MW470.41 g/mol
LogP3.80
Rot. Bonds6

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

2-amino-N-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide (PubChem CID 134219135) has the molecular formula C22H17F3N6O3 and a molecular weight of 470.41 g/mol. Its IUPAC name is 2-amino-N-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide.

Molecular Properties

Compound Name2-amino-N-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide
PubChem CID134219135
Molecular FormulaC22H17F3N6O3
Molecular Weight470.41 g/mol
Exact Mass470.13
IUPAC Name2-amino-N-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide
SMILESNc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(=O)N(N)Cc1noc(-c2ccccn2)n1
InChIInChI=1S/C22H17F3N6O3/c23-22(24,25)33-15-7-4-13(5-8-15)14-6-9-17(26)16(11-14)21(32)31(27)12-19-29-20(34-30-19)18-3-1-2-10-28-18/h1-11H,12,26-27H2
InChIKeyLFLYQQJHYYYUOM-UHFFFAOYSA-N
XLogP3.80
TPSA133.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

2-amino-N-[[3-(pyridin-2-ylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide
CID 134219146
2-amino-N-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide
CID 146330630
2-amino-N-but-3-ynyl-5-[4-(trifluoromethoxy)phenyl]benzohydrazide
CID 134219121
2-amino-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide
CID 134219270
2-amino-N-[(5-phenyltetrazol-1-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide
CID 146330631
1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 115078766
[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol
CID 23205017
N-ethyl-2-[formyl(methyl)amino]-N-(pyridin-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]benzamide
CID 146427896
N-[2-amino-6-(2-pyridin-2-ylethyl)-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]benzamide
CID 91559426
5-fluoro-2-hydroxy-N-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 71975959
2-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 28875531
2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171921767

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide?
The IUPAC name of 2-amino-N-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide (CID 134219135) is 2-amino-N-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide.
What is the SMILES notation for 2-amino-N-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide?
The canonical SMILES for 2-amino-N-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide is Nc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1C(=O)N(N)Cc1noc(-c2ccccn2)n1.
What is the InChIKey of 2-amino-N-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide?
The InChIKey is LFLYQQJHYYYUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N6O3/c23-22(24,25)33-15-7-4-13(5-8-15)14-6-9-17(26)16(11-14)21(32)31(27)12-19-29-20(34-30-19)18-3-1-2-10-28-18/h1-11H,12,26-27H2.
What are the key properties of 2-amino-N-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide?
2-amino-N-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide has a molecular weight of 470.41 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]benzohydrazide is sourced from PubChem (CID 134219135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).