4-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide

C25H22N4O4 — CID 122183645

IUPAC4-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
SMILESCOc1ccc(-c2nnc(-c3ccc(C(=O)N/N=C/c4ccc(C)cc4)cc3)o2)c(OC)c1
InChIInChI=1S/C25H22N4O4/c1-16-4-6-17(7-5-16)15-26-27-23(30)18-8-10-19(11-9-18)24-28-29-25(33-24)21-13-12-20(31-2)14-22(21)32-3/h4-15H,1-3H3,(H,27,30)/b26-15+
InChIKeyHODGHMGRUBAHHP-CVKSISIWSA-N
MW442.48 g/mol
LogP4.49
Rot. Bonds7

About 4-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide

4-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide (PubChem CID 122183645) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 4-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
PubChem CID122183645
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name4-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
SMILESCOc1ccc(-c2nnc(-c3ccc(C(=O)N/N=C/c4ccc(C)cc4)cc3)o2)c(OC)c1
InChIInChI=1S/C25H22N4O4/c1-16-4-6-17(7-5-16)15-26-27-23(30)18-8-10-19(11-9-18)24-28-29-25(33-24)21-13-12-20(31-2)14-22(21)32-3/h4-15H,1-3H3,(H,27,30)/b26-15+
InChIKeyHODGHMGRUBAHHP-CVKSISIWSA-N
XLogP4.49
TPSA98.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 910496
[2-methoxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 1002031
[2-methoxy-4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 4248850
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 4613263
4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 769086
(2R)-2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,2-bis(4-methylphenyl)ethanone
CID 40987268
4-methyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509123
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-4-prop-1-en-2-ylbenzamide
CID 162458820
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-4-methylbenzamide
CID 9175187
[4-[(Z)-[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate
CID 6043565
N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
CID 6005479

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide (CID 122183645) is 4-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide is COc1ccc(-c2nnc(-c3ccc(C(=O)N/N=C/c4ccc(C)cc4)cc3)o2)c(OC)c1.
What is the InChIKey of 4-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide?
The InChIKey is HODGHMGRUBAHHP-CVKSISIWSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-16-4-6-17(7-5-16)15-26-27-23(30)18-8-10-19(11-9-18)24-28-29-25(33-24)21-13-12-20(31-2)14-22(21)32-3/h4-15H,1-3H3,(H,27,30)/b26-15+.
What are the key properties of 4-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide?
4-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide has a molecular weight of 442.48 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 122183645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).