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

C24H21N3O4 — CID 9354144

IUPACN-benzyl-3-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
SMILESCOc1ccccc1-c1noc(COc2cccc(C(=O)NCc3ccccc3)c2)n1
InChIInChI=1S/C24H21N3O4/c1-29-21-13-6-5-12-20(21)23-26-22(31-27-23)16-30-19-11-7-10-18(14-19)24(28)25-15-17-8-3-2-4-9-17/h2-14H,15-16H2,1H3,(H,25,28)
InChIKeyRTKIBDAVFKKNLF-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.25
Rot. Bonds8

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

N-benzyl-3-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide (PubChem CID 9354144) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-benzyl-3-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
PubChem CID9354144
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-benzyl-3-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
SMILESCOc1ccccc1-c1noc(COc2cccc(C(=O)NCc3ccccc3)c2)n1
InChIInChI=1S/C24H21N3O4/c1-29-21-13-6-5-12-20(21)23-26-22(31-27-23)16-30-19-11-7-10-18(14-19)24(28)25-15-17-8-3-2-4-9-17/h2-14H,15-16H2,1H3,(H,25,28)
InChIKeyRTKIBDAVFKKNLF-UHFFFAOYSA-N
XLogP4.25
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-iodophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9353996
5-[(3,5-dimethoxyphenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9355953
3-[(2-chlorophenyl)methoxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 100750231
5-(9H-carbazol-2-yloxymethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9355907
[3-(benzylcarbamoyl)phenyl] 2-(2-methoxyphenoxy)acetate
CID 8879306
benzyl N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 110324084
3-chloro-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 99994482
N-(4-methoxyphenyl)-2-[2-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 50753500
3-N-benzyl-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109054096
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 55846787
N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973291
4-fluoro-N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 4976328

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
The IUPAC name of N-benzyl-3-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide (CID 9354144) is N-benzyl-3-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide.
What is the SMILES notation for N-benzyl-3-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
The canonical SMILES for N-benzyl-3-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide is COc1ccccc1-c1noc(COc2cccc(C(=O)NCc3ccccc3)c2)n1.
What is the InChIKey of N-benzyl-3-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
The InChIKey is RTKIBDAVFKKNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-29-21-13-6-5-12-20(21)23-26-22(31-27-23)16-30-19-11-7-10-18(14-19)24(28)25-15-17-8-3-2-4-9-17/h2-14H,15-16H2,1H3,(H,25,28).
What are the key properties of N-benzyl-3-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide?
N-benzyl-3-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide has a molecular weight of 415.45 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide is sourced from PubChem (CID 9354144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).