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

C22H21N5O5 — CID 166233698

IUPACN-(4-ethoxyphenyl)-2-[5-[3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cc2noc(-c3cccc(-c4nnc(COC)o4)c3)n2)cc1
InChIInChI=1S/C22H21N5O5/c1-3-30-17-9-7-16(8-10-17)23-19(28)12-18-24-21(32-27-18)14-5-4-6-15(11-14)22-26-25-20(31-22)13-29-2/h4-11H,3,12-13H2,1-2H3,(H,23,28)
InChIKeyQLIRSTAPGQPOIQ-UHFFFAOYSA-N
MW435.44 g/mol
LogP3.51
Rot. Bonds9

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

N-(4-ethoxyphenyl)-2-[5-[3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 166233698) has the molecular formula C22H21N5O5 and a molecular weight of 435.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[5-[3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[5-[3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID166233698
Molecular FormulaC22H21N5O5
Molecular Weight435.44 g/mol
Exact Mass435.15
IUPAC NameN-(4-ethoxyphenyl)-2-[5-[3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cc2noc(-c3cccc(-c4nnc(COC)o4)c3)n2)cc1
InChIInChI=1S/C22H21N5O5/c1-3-30-17-9-7-16(8-10-17)23-19(28)12-18-24-21(32-27-18)14-5-4-6-15(11-14)22-26-25-20(31-22)13-29-2/h4-11H,3,12-13H2,1-2H3,(H,23,28)
InChIKeyQLIRSTAPGQPOIQ-UHFFFAOYSA-N
XLogP3.51
TPSA125.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(4-ethoxyphenyl)-2-[5-[3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,2,4-oxadiazol-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(4-methoxyphenyl)acetamide
CID 27211427
2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-ethylphenyl)acetamide
CID 46266683
3-(4-methoxyphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide
CID 50843876
N-(4-ethoxyphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878327
N-(4-methoxyphenyl)-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266503
4-ethoxy-N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53003527
N-(4-ethoxyphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34802338
N-(4-acetamidophenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334977
2-[(3-ethoxyphenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 110655825
N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 50844100
N-(4-ethoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335290
2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 46266818

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[5-[3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[5-[3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,2,4-oxadiazol-3-yl]acetamide (CID 166233698) is N-(4-ethoxyphenyl)-2-[5-[3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[5-[3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[5-[3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,2,4-oxadiazol-3-yl]acetamide is CCOc1ccc(NC(=O)Cc2noc(-c3cccc(-c4nnc(COC)o4)c3)n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[5-[3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is QLIRSTAPGQPOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O5/c1-3-30-17-9-7-16(8-10-17)23-19(28)12-18-24-21(32-27-18)14-5-4-6-15(11-14)22-26-25-20(31-22)13-29-2/h4-11H,3,12-13H2,1-2H3,(H,23,28).
What are the key properties of N-(4-ethoxyphenyl)-2-[5-[3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,2,4-oxadiazol-3-yl]acetamide?
N-(4-ethoxyphenyl)-2-[5-[3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 435.44 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[5-[3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 166233698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).