2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C20H21N3O5 — CID 110324222

IUPAC2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCOc1ccc(-c2noc(CCNC(=O)c3c(OC)cccc3OC)n2)cc1
InChIInChI=1S/C20H21N3O5/c1-25-14-9-7-13(8-10-14)19-22-17(28-23-19)11-12-21-20(24)18-15(26-2)5-4-6-16(18)27-3/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyOSJVAVSLEHPEIU-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.73
Rot. Bonds8

About 2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 110324222) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID110324222
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCOc1ccc(-c2noc(CCNC(=O)c3c(OC)cccc3OC)n2)cc1
InChIInChI=1S/C20H21N3O5/c1-25-14-9-7-13(8-10-14)19-22-17(28-23-19)11-12-21-20(24)18-15(26-2)5-4-6-16(18)27-3/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyOSJVAVSLEHPEIU-UHFFFAOYSA-N
XLogP2.73
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-dimethoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 110293648
2-chloro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 4870909
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxybenzamide
CID 4896437
N-[2-(2-fluorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110411078
4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 51064588
2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 39867676
2-(3,4-dimethoxyphenyl)-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 110324159
N-[2-(2-fluorophenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 51312188
N-[2-[(2,6-difluorobenzoyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17084206
N-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide
CID 110630603
1-(4-chlorophenyl)-3-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]urea
CID 110324234
N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]-2-methylbenzamide
CID 41365420

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 110324222) is 2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is COc1ccc(-c2noc(CCNC(=O)c3c(OC)cccc3OC)n2)cc1.
What is the InChIKey of 2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is OSJVAVSLEHPEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-25-14-9-7-13(8-10-14)19-22-17(28-23-19)11-12-21-20(24)18-15(26-2)5-4-6-16(18)27-3/h4-10H,11-12H2,1-3H3,(H,21,24).
What are the key properties of 2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 383.40 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 110324222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).