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

C20H21N3O6 — CID 6484581

IUPAC3,4,5-trimethoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCOc1ccc(-c2noc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C20H21N3O6/c1-25-14-7-5-12(6-8-14)19-22-17(29-23-19)11-21-20(24)13-9-15(26-2)18(28-4)16(10-13)27-3/h5-10H,11H2,1-4H3,(H,21,24)
InChIKeyYXRGQMSYEMKUTN-UHFFFAOYSA-N
MW399.40 g/mol
LogP2.70
Rot. Bonds8

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

3,4,5-trimethoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 6484581) has the molecular formula C20H21N3O6 and a molecular weight of 399.40 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID6484581
Molecular FormulaC20H21N3O6
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Name3,4,5-trimethoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCOc1ccc(-c2noc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C20H21N3O6/c1-25-14-7-5-12(6-8-14)19-22-17(29-23-19)11-21-20(24)13-9-15(26-2)18(28-4)16(10-13)27-3/h5-10H,11H2,1-4H3,(H,21,24)
InChIKeyYXRGQMSYEMKUTN-UHFFFAOYSA-N
XLogP2.70
TPSA104.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 6484581) is 3,4,5-trimethoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is COc1ccc(-c2noc(CNC(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1.
What is the InChIKey of 3,4,5-trimethoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is YXRGQMSYEMKUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O6/c1-25-14-7-5-12(6-8-14)19-22-17(29-23-19)11-21-20(24)13-9-15(26-2)18(28-4)16(10-13)27-3/h5-10H,11H2,1-4H3,(H,21,24).
What are the key properties of 3,4,5-trimethoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
3,4,5-trimethoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 399.40 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 6484581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).