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

C24H23N5O2 — CID 118735147

IUPACN-(2-aminophenyl)-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
SMILESCc1ccc(-c2noc(CNCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cc1
InChIInChI=1S/C24H23N5O2/c1-16-6-10-18(11-7-16)23-28-22(31-29-23)15-26-14-17-8-12-19(13-9-17)24(30)27-21-5-3-2-4-20(21)25/h2-13,26H,14-15,25H2,1H3,(H,27,30)
InChIKeyNHLUFPGZCQCLFT-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.17
Rot. Bonds7

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

N-(2-aminophenyl)-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide (PubChem CID 118735147) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
PubChem CID118735147
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-(2-aminophenyl)-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
SMILESCc1ccc(-c2noc(CNCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cc1
InChIInChI=1S/C24H23N5O2/c1-16-6-10-18(11-7-16)23-28-22(31-29-23)15-26-14-17-8-12-19(13-9-17)24(30)27-21-5-3-2-4-20(21)25/h2-13,26H,14-15,25H2,1H3,(H,27,30)
InChIKeyNHLUFPGZCQCLFT-UHFFFAOYSA-N
XLogP4.17
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 137645302
N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-phenylamine
CID 752359
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 3238119
1-(4-{4-[(3-Benzyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl}phenyl)ethanone
CID 16188569
2-(3-acetamido-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 44275012
N-hydroxy-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide
CID 46190552
N-hydroxy-4-[[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
CID 46190609
N-(2-aminophenyl)-7-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide
CID 46203315
N-(2-aminophenyl)-7-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]heptanamide
CID 46203316
N-(2-aminophenyl)-4-[[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]benzamide
CID 118735146
N-(2-aminophenyl)-4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
CID 118735150
N-(2-aminophenyl)-4-[[[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
CID 118735151

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide (CID 118735147) is N-(2-aminophenyl)-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide is Cc1ccc(-c2noc(CNCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide?
The InChIKey is NHLUFPGZCQCLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-16-6-10-18(11-7-16)23-28-22(31-29-23)15-26-14-17-8-12-19(13-9-17)24(30)27-21-5-3-2-4-20(21)25/h2-13,26H,14-15,25H2,1H3,(H,27,30).
What are the key properties of N-(2-aminophenyl)-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide?
N-(2-aminophenyl)-4-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide has a molecular weight of 413.48 g/mol, XLogP of 4.17, 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-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide is sourced from PubChem (CID 118735147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).