3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(2-phenoxyethyl)propanamide

C23H27N3O4 — CID 26323678

IUPAC3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(2-phenoxyethyl)propanamide
SMILESCOc1ccc(CCc2nnc(CCC(=O)N(C)CCOc3ccccc3)o2)cc1
InChIInChI=1S/C23H27N3O4/c1-26(16-17-29-20-6-4-3-5-7-20)23(27)15-14-22-25-24-21(30-22)13-10-18-8-11-19(28-2)12-9-18/h3-9,11-12H,10,13-17H2,1-2H3
InChIKeyOBVGRKLSVNWRHM-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.33
Rot. Bonds11

About 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(2-phenoxyethyl)propanamide

3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(2-phenoxyethyl)propanamide (PubChem CID 26323678) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(2-phenoxyethyl)propanamide.

Molecular Properties

Compound Name3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(2-phenoxyethyl)propanamide
PubChem CID26323678
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(2-phenoxyethyl)propanamide
SMILESCOc1ccc(CCc2nnc(CCC(=O)N(C)CCOc3ccccc3)o2)cc1
InChIInChI=1S/C23H27N3O4/c1-26(16-17-29-20-6-4-3-5-7-20)23(27)15-14-22-25-24-21(30-22)13-10-18-8-11-19(28-2)12-9-18/h3-9,11-12H,10,13-17H2,1-2H3
InChIKeyOBVGRKLSVNWRHM-UHFFFAOYSA-N
XLogP3.33
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099
N-[1-(4-methoxyphenyl)ethyl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide
CID 45212918
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]propanamide
CID 42095937
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46523344
N-methyl-N-(3-phenoxypropyl)-3-pyridin-4-ylpropanamide
CID 60508904
4-[3-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-oxopropyl]benzoic acid
CID 119179858
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 35347663
2-(3-methoxyphenyl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 78781283
N-(2-hydroxyethyl)-3-(4-methoxyphenoxy)-N-methylpropanamide
CID 60652618
N-[(4-ethylphenyl)methyl]-3-[5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methylpropanamide
CID 25376239
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-propylpropanamide
CID 25364429
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)-N-propylpropanamide
CID 24790274

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(2-phenoxyethyl)propanamide?
The IUPAC name of 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(2-phenoxyethyl)propanamide (CID 26323678) is 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(2-phenoxyethyl)propanamide.
What is the SMILES notation for 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(2-phenoxyethyl)propanamide?
The canonical SMILES for 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(2-phenoxyethyl)propanamide is COc1ccc(CCc2nnc(CCC(=O)N(C)CCOc3ccccc3)o2)cc1.
What is the InChIKey of 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(2-phenoxyethyl)propanamide?
The InChIKey is OBVGRKLSVNWRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-26(16-17-29-20-6-4-3-5-7-20)23(27)15-14-22-25-24-21(30-22)13-10-18-8-11-19(28-2)12-9-18/h3-9,11-12H,10,13-17H2,1-2H3.
What are the key properties of 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(2-phenoxyethyl)propanamide?
3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(2-phenoxyethyl)propanamide has a molecular weight of 409.49 g/mol, XLogP of 3.33, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-N-methyl-N-(2-phenoxyethyl)propanamide is sourced from PubChem (CID 26323678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).