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

C24H23N5O3 — CID 118735148

IUPACN-(2-aminophenyl)-4-[[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
SMILESCOc1ccc(-c2noc(CNCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cc1
InChIInChI=1S/C24H23N5O3/c1-31-19-12-10-17(11-13-19)23-28-22(32-29-23)15-26-14-16-6-8-18(9-7-16)24(30)27-21-5-3-2-4-20(21)25/h2-13,26H,14-15,25H2,1H3,(H,27,30)
InChIKeyOEIWOBHSMWRABY-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.87
Rot. Bonds8

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

N-(2-aminophenyl)-4-[[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide (PubChem CID 118735148) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
PubChem CID118735148
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC NameN-(2-aminophenyl)-4-[[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide
SMILESCOc1ccc(-c2noc(CNCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cc1
InChIInChI=1S/C24H23N5O3/c1-31-19-12-10-17(11-13-19)23-28-22(32-29-23)15-26-14-16-6-8-18(9-7-16)24(30)27-21-5-3-2-4-20(21)25/h2-13,26H,14-15,25H2,1H3,(H,27,30)
InChIKeyOEIWOBHSMWRABY-UHFFFAOYSA-N
XLogP3.87
TPSA115.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide (CID 118735148) is N-(2-aminophenyl)-4-[[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide is COc1ccc(-c2noc(CNCc3ccc(C(=O)Nc4ccccc4N)cc3)n2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide?
The InChIKey is OEIWOBHSMWRABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-31-19-12-10-17(11-13-19)23-28-22(32-29-23)15-26-14-16-6-8-18(9-7-16)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-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide?
N-(2-aminophenyl)-4-[[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide has a molecular weight of 429.48 g/mol, XLogP of 3.87, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]methyl]benzamide is sourced from PubChem (CID 118735148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).