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

C25H23N3O3 — CID 25238106

IUPACN-(3,5-dimethylphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
SMILESCc1ccc(-c2noc(COc3ccccc3C(=O)Nc3cc(C)cc(C)c3)n2)cc1
InChIInChI=1S/C25H23N3O3/c1-16-8-10-19(11-9-16)24-27-23(31-28-24)15-30-22-7-5-4-6-21(22)25(29)26-20-13-17(2)12-18(3)14-20/h4-14H,15H2,1-3H3,(H,26,29)
InChIKeyWBKRPELCGNQHIC-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.49
Rot. Bonds6

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

N-(3,5-dimethylphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide (PubChem CID 25238106) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
PubChem CID25238106
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-(3,5-dimethylphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
SMILESCc1ccc(-c2noc(COc3ccccc3C(=O)Nc3cc(C)cc(C)c3)n2)cc1
InChIInChI=1S/C25H23N3O3/c1-16-8-10-19(11-9-16)24-27-23(31-28-24)15-30-22-7-5-4-6-21(22)25(29)26-20-13-17(2)12-18(3)14-20/h4-14H,15H2,1-3H3,(H,26,29)
InChIKeyWBKRPELCGNQHIC-UHFFFAOYSA-N
XLogP5.49
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25237955
N-(2,5-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 46267111
N-(2,4-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 46267112
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 20896118
N-cyclopentyl-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 44522161
N-(3-methylbutyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 25238389
2-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-N-phenylbenzamide
CID 27876772
N-(furan-2-ylmethyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 46267095
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25237851
N-[(2-methylphenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25238417
N-(2-bromo-4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 25238419
[2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 25238409

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide (CID 25238106) is N-(3,5-dimethylphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide is Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3cc(C)cc(C)c3)n2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
The InChIKey is WBKRPELCGNQHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-16-8-10-19(11-9-16)24-27-23(31-28-24)15-30-22-7-5-4-6-21(22)25(29)26-20-13-17(2)12-18(3)14-20/h4-14H,15H2,1-3H3,(H,26,29).
What are the key properties of N-(3,5-dimethylphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
N-(3,5-dimethylphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide has a molecular weight of 413.48 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide is sourced from PubChem (CID 25238106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).