methyl 2-[[4-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoyl]amino]acetate

C23H24N4O6 — CID 43059753

IUPACmethyl 2-[[4-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoyl]amino]acetate
SMILESCCOc1ccc(-c2noc(CCC(=O)Nc3ccc(C(=O)NCC(=O)OC)cc3)n2)cc1
InChIInChI=1S/C23H24N4O6/c1-3-32-18-10-6-15(7-11-18)22-26-20(33-27-22)13-12-19(28)25-17-8-4-16(5-9-17)23(30)24-14-21(29)31-2/h4-11H,3,12-14H2,1-2H3,(H,24,30)(H,25,28)
InChIKeyQYLCAIZQWIRKKJ-UHFFFAOYSA-N
MW452.47 g/mol
LogP2.61
Rot. Bonds10

About methyl 2-[[4-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoyl]amino]acetate

methyl 2-[[4-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoyl]amino]acetate (PubChem CID 43059753) has the molecular formula C23H24N4O6 and a molecular weight of 452.47 g/mol. Its IUPAC name is methyl 2-[[4-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoyl]amino]acetate
PubChem CID43059753
Molecular FormulaC23H24N4O6
Molecular Weight452.47 g/mol
Exact Mass452.17
IUPAC Namemethyl 2-[[4-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoyl]amino]acetate
SMILESCCOc1ccc(-c2noc(CCC(=O)Nc3ccc(C(=O)NCC(=O)OC)cc3)n2)cc1
InChIInChI=1S/C23H24N4O6/c1-3-32-18-10-6-15(7-11-18)22-26-20(33-27-22)13-12-19(28)25-17-8-4-16(5-9-17)23(30)24-14-21(29)31-2/h4-11H,3,12-14H2,1-2H3,(H,24,30)(H,25,28)
InChIKeyQYLCAIZQWIRKKJ-UHFFFAOYSA-N
XLogP2.61
TPSA132.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[4-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoyl]amino]acetate with MolForge

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Related Compounds

4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethoxyphenyl)butanamide
CID 17101451
3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylbenzamide
CID 55705925
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(thiadiazol-4-yl)phenyl]propanamide
CID 55984297
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide
CID 60552244
N-[2-(tert-butylamino)-2-oxoethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 39638742
methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 46637026
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-prop-2-enylpropanamide
CID 46586148
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 37266459
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)propanamide
CID 100764143
N-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3422358
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide
CID 37133491
N-(4-ethoxyphenyl)-3-[3-(3-methoxy-4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354704

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoyl]amino]acetate (CID 43059753) is methyl 2-[[4-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoyl]amino]acetate is CCOc1ccc(-c2noc(CCC(=O)Nc3ccc(C(=O)NCC(=O)OC)cc3)n2)cc1.
What is the InChIKey of methyl 2-[[4-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoyl]amino]acetate?
The InChIKey is QYLCAIZQWIRKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O6/c1-3-32-18-10-6-15(7-11-18)22-26-20(33-27-22)13-12-19(28)25-17-8-4-16(5-9-17)23(30)24-14-21(29)31-2/h4-11H,3,12-14H2,1-2H3,(H,24,30)(H,25,28).
What are the key properties of methyl 2-[[4-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoyl]amino]acetate?
methyl 2-[[4-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoyl]amino]acetate has a molecular weight of 452.47 g/mol, XLogP of 2.61, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoyl]amino]acetate is sourced from PubChem (CID 43059753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).