N-benzyl-2-[2-methoxy-4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide

C25H23N3O4 — CID 46267215

IUPACN-benzyl-2-[2-methoxy-4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESCOc1cc(-c2noc(-c3ccccc3C)n2)ccc1OCC(=O)NCc1ccccc1
InChIInChI=1S/C25H23N3O4/c1-17-8-6-7-11-20(17)25-27-24(28-32-25)19-12-13-21(22(14-19)30-2)31-16-23(29)26-15-18-9-4-3-5-10-18/h3-14H,15-16H2,1-2H3,(H,26,29)
InChIKeyBMPVZYQGNGIVEM-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.42
Rot. Bonds8

About N-benzyl-2-[2-methoxy-4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide

N-benzyl-2-[2-methoxy-4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (PubChem CID 46267215) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-benzyl-2-[2-methoxy-4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-methoxy-4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
PubChem CID46267215
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN-benzyl-2-[2-methoxy-4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
SMILESCOc1cc(-c2noc(-c3ccccc3C)n2)ccc1OCC(=O)NCc1ccccc1
InChIInChI=1S/C25H23N3O4/c1-17-8-6-7-11-20(17)25-27-24(28-32-25)19-12-13-21(22(14-19)30-2)31-16-23(29)26-15-18-9-4-3-5-10-18/h3-14H,15-16H2,1-2H3,(H,26,29)
InChIKeyBMPVZYQGNGIVEM-UHFFFAOYSA-N
XLogP4.42
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267236
2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 46267171
N-benzyl-2-[3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032489
3-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 83289458
N-[(4-methoxyphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238050
2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide
CID 53100904
N-butyl-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267238
N-cyclohexyl-2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 46267182
N-(2-fluorophenyl)-2-[2-methoxy-4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 46267221
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 25238116
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide
CID 3159477

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-methoxy-4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The IUPAC name of N-benzyl-2-[2-methoxy-4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (CID 46267215) is N-benzyl-2-[2-methoxy-4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.
What is the SMILES notation for N-benzyl-2-[2-methoxy-4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The canonical SMILES for N-benzyl-2-[2-methoxy-4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is COc1cc(-c2noc(-c3ccccc3C)n2)ccc1OCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-methoxy-4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
The InChIKey is BMPVZYQGNGIVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-17-8-6-7-11-20(17)25-27-24(28-32-25)19-12-13-21(22(14-19)30-2)31-16-23(29)26-15-18-9-4-3-5-10-18/h3-14H,15-16H2,1-2H3,(H,26,29).
What are the key properties of N-benzyl-2-[2-methoxy-4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?
N-benzyl-2-[2-methoxy-4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide has a molecular weight of 429.48 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-methoxy-4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is sourced from PubChem (CID 46267215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).