N-hydroxy-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide

C17H16N4O3 — CID 46190552

IUPACN-hydroxy-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide
SMILESO=C(NO)c1ccc(CNCc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C17H16N4O3/c22-17(20-23)14-8-6-12(7-9-14)10-18-11-15-19-16(21-24-15)13-4-2-1-3-5-13/h1-9,18,23H,10-11H2,(H,20,22)
InChIKeyVNQHKBYANKJVHF-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.15
Rot. Bonds6

About N-hydroxy-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide

N-hydroxy-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide (PubChem CID 46190552) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-hydroxy-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide
PubChem CID46190552
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-hydroxy-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide
SMILESO=C(NO)c1ccc(CNCc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C17H16N4O3/c22-17(20-23)14-8-6-12(7-9-14)10-18-11-15-19-16(21-24-15)13-4-2-1-3-5-13/h1-9,18,23H,10-11H2,(H,20,22)
InChIKeyVNQHKBYANKJVHF-UHFFFAOYSA-N
XLogP2.15
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide (CID 46190552) is N-hydroxy-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide is O=C(NO)c1ccc(CNCc2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of N-hydroxy-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide?
The InChIKey is VNQHKBYANKJVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-17(20-23)14-8-6-12(7-9-14)10-18-11-15-19-16(21-24-15)13-4-2-1-3-5-13/h1-9,18,23H,10-11H2,(H,20,22).
What are the key properties of N-hydroxy-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide?
N-hydroxy-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide has a molecular weight of 324.34 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 46190552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).