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

C23H21N5O2 — CID 118735146

IUPACN-(2-aminophenyl)-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNCc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C23H21N5O2/c24-19-8-4-5-9-20(19)26-23(29)18-12-10-16(11-13-18)14-25-15-21-27-22(28-30-21)17-6-2-1-3-7-17/h1-13,25H,14-15,24H2,(H,26,29)
InChIKeyUYCSTQIXZLGKEN-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.86
Rot. Bonds7

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

N-(2-aminophenyl)-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide (PubChem CID 118735146) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide
PubChem CID118735146
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-(2-aminophenyl)-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CNCc2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C23H21N5O2/c24-19-8-4-5-9-20(19)26-23(29)18-12-10-16(11-13-18)14-25-15-21-27-22(28-30-21)17-6-2-1-3-7-17/h1-13,25H,14-15,24H2,(H,26,29)
InChIKeyUYCSTQIXZLGKEN-UHFFFAOYSA-N
XLogP3.86
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide (CID 118735146) is N-(2-aminophenyl)-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(CNCc2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide?
The InChIKey is UYCSTQIXZLGKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c24-19-8-4-5-9-20(19)26-23(29)18-12-10-16(11-13-18)14-25-15-21-27-22(28-30-21)17-6-2-1-3-7-17/h1-13,25H,14-15,24H2,(H,26,29).
What are the key properties of N-(2-aminophenyl)-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide?
N-(2-aminophenyl)-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 3.86, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 118735146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).