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

C25H23N3O5 — CID 46267112

IUPACN-(2,4-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccc(C)cc3)no2)c(OC)c1
InChIInChI=1S/C25H23N3O5/c1-16-8-10-17(11-9-16)24-27-23(33-28-24)15-32-21-7-5-4-6-19(21)25(29)26-20-13-12-18(30-2)14-22(20)31-3/h4-14H,15H2,1-3H3,(H,26,29)
InChIKeyYUSSKAYCXIPWAL-UHFFFAOYSA-N
MW445.48 g/mol
LogP4.89
Rot. Bonds8

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

N-(2,4-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide (PubChem CID 46267112) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
PubChem CID46267112
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccc(C)cc3)no2)c(OC)c1
InChIInChI=1S/C25H23N3O5/c1-16-8-10-17(11-9-16)24-27-23(33-28-24)15-32-21-7-5-4-6-19(21)25(29)26-20-13-12-18(30-2)14-22(20)31-3/h4-14H,15H2,1-3H3,(H,26,29)
InChIKeyYUSSKAYCXIPWAL-UHFFFAOYSA-N
XLogP4.89
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 46267111
N-(3,5-dimethylphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 25238106
N-(3,5-dimethoxyphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25237955
N-cyclopropyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 56883843
2,4-dimethoxy-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 2997012
N-cyclopentyl-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 44522161
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 20896118
N-(2-bromo-4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25238419
N-(3-methylbutyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 25238389
N-(furan-2-ylmethyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 46267095
N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25238417
5-[(3-methoxyphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3159105

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide (CID 46267112) is N-(2,4-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide is COc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccc(C)cc3)no2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
The InChIKey is YUSSKAYCXIPWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-16-8-10-17(11-9-16)24-27-23(33-28-24)15-32-21-7-5-4-6-19(21)25(29)26-20-13-12-18(30-2)14-22(20)31-3/h4-14H,15H2,1-3H3,(H,26,29).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
N-(2,4-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide has a molecular weight of 445.48 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide is sourced from PubChem (CID 46267112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).