3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylbenzamide

C23H26N4O4 — CID 55705925

IUPAC3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)CCc2nc(-c3ccc(OCC)cc3)no2)c1
InChIInChI=1S/C23H26N4O4/c1-3-14-24-23(29)17-6-5-7-18(15-17)25-20(28)12-13-21-26-22(27-31-21)16-8-10-19(11-9-16)30-4-2/h5-11,15H,3-4,12-14H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyAQVKNXBNJNAALH-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.85
Rot. Bonds10

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

3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylbenzamide (PubChem CID 55705925) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylbenzamide
PubChem CID55705925
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)CCc2nc(-c3ccc(OCC)cc3)no2)c1
InChIInChI=1S/C23H26N4O4/c1-3-14-24-23(29)17-6-5-7-18(15-17)25-20(28)12-13-21-26-22(27-31-21)16-8-10-19(11-9-16)30-4-2/h5-11,15H,3-4,12-14H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyAQVKNXBNJNAALH-UHFFFAOYSA-N
XLogP3.85
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
CID 46616250
N-(3-ethoxypropyl)-3-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
CID 55801586
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-ethynylanilino)-2-oxoethyl]propanamide
CID 55836397
methyl 2-[[4-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoyl]amino]acetate
CID 43059753
3-[[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]methyl]benzamide
CID 32637808
N-(3-hydroxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354549
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 39632964
ethyl 1-[3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]phenyl]-5-methylpyrazole-4-carboxylate
CID 38606446
N-(5-bromo-2-methylphenyl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55804444
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide
CID 60552244
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581294
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 55863007

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylbenzamide?
The IUPAC name of 3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylbenzamide (CID 55705925) is 3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylbenzamide.
What is the SMILES notation for 3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylbenzamide?
The canonical SMILES for 3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC(=O)CCc2nc(-c3ccc(OCC)cc3)no2)c1.
What is the InChIKey of 3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylbenzamide?
The InChIKey is AQVKNXBNJNAALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-3-14-24-23(29)17-6-5-7-18(15-17)25-20(28)12-13-21-26-22(27-31-21)16-8-10-19(11-9-16)30-4-2/h5-11,15H,3-4,12-14H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of 3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylbenzamide?
3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylbenzamide has a molecular weight of 422.49 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propylbenzamide is sourced from PubChem (CID 55705925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).