N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide

C21H23N3O6 — CID 4791317

IUPACN-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCOc1ccc(-c2nnc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)o2)cc1
InChIInChI=1S/C21H23N3O6/c1-5-29-15-8-6-14(7-9-15)20-23-24-21(30-20)22-18(25)12-13-10-16(26-2)19(28-4)17(11-13)27-3/h6-11H,5,12H2,1-4H3,(H,22,24,25)
InChIKeyIWQFPLGEWXPDGT-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.34
Rot. Bonds9

About N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide

N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 4791317) has the molecular formula C21H23N3O6 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID4791317
Molecular FormulaC21H23N3O6
Molecular Weight413.43 g/mol
Exact Mass413.16
IUPAC NameN-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCOc1ccc(-c2nnc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)o2)cc1
InChIInChI=1S/C21H23N3O6/c1-5-29-15-8-6-14(7-9-15)20-23-24-21(30-20)22-18(25)12-13-10-16(26-2)19(28-4)17(11-13)27-3/h6-11H,5,12H2,1-4H3,(H,22,24,25)
InChIKeyIWQFPLGEWXPDGT-UHFFFAOYSA-N
XLogP3.34
TPSA104.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 4791317) is N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide is CCOc1ccc(-c2nnc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)o2)cc1.
What is the InChIKey of N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is IWQFPLGEWXPDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6/c1-5-29-15-8-6-14(7-9-15)20-23-24-21(30-20)22-18(25)12-13-10-16(26-2)19(28-4)17(11-13)27-3/h6-11H,5,12H2,1-4H3,(H,22,24,25).
What are the key properties of N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 413.43 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 4791317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).