N-(4-ethoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide

C23H27N3O4 — CID 20851568

IUPACN-(4-ethoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
SMILESCCCN(C(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1ccc(OCC)cc1
InChIInChI=1S/C23H27N3O4/c1-4-16-26(18-8-12-20(13-9-18)29-5-2)22(27)15-14-21-24-23(25-30-21)17-6-10-19(28-3)11-7-17/h6-13H,4-5,14-16H2,1-3H3
InChIKeyUFQTVBRMDMZJEV-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.52
Rot. Bonds10

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

N-(4-ethoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide (PubChem CID 20851568) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
PubChem CID20851568
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-(4-ethoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
SMILESCCCN(C(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1ccc(OCC)cc1
InChIInChI=1S/C23H27N3O4/c1-4-16-26(18-8-12-20(13-9-18)29-5-2)22(27)15-14-21-24-23(25-30-21)17-6-10-19(28-3)11-7-17/h6-13H,4-5,14-16H2,1-3H3
InChIKeyUFQTVBRMDMZJEV-UHFFFAOYSA-N
XLogP4.52
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 15989742
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-dipropylacetamide
CID 110416420
N-[2-(diethylamino)-2-oxoethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 55518191
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46523344
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 35347663
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide
CID 46587836
methyl 4-[[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl-methylamino]methyl]benzoate
CID 37411312
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-[(6-methoxynaphthalen-2-yl)methyl]propanamide
CID 46588266
N-(3-amino-4-methylpentyl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride
CID 119658015
N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 71881004
N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46586192

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide (CID 20851568) is N-(4-ethoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide is CCCN(C(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1ccc(OCC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide?
The InChIKey is UFQTVBRMDMZJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-4-16-26(18-8-12-20(13-9-18)29-5-2)22(27)15-14-21-24-23(25-30-21)17-6-10-19(28-3)11-7-17/h6-13H,4-5,14-16H2,1-3H3.
What are the key properties of N-(4-ethoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide?
N-(4-ethoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide has a molecular weight of 409.49 g/mol, XLogP of 4.52, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide is sourced from PubChem (CID 20851568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).