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

C21H23N3O3 — CID 110334734

IUPACN-benzyl-N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCc1nnc(-c2ccccc2OC)o1
InChIInChI=1S/C21H23N3O3/c1-3-24(15-16-9-5-4-6-10-16)20(25)14-13-19-22-23-21(27-19)17-11-7-8-12-18(17)26-2/h4-12H,3,13-15H2,1-2H3
InChIKeyZELUELFJYCPYQP-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.73
Rot. Bonds8

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

N-benzyl-N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 110334734) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID110334734
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-benzyl-N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCCN(Cc1ccccc1)C(=O)CCc1nnc(-c2ccccc2OC)o1
InChIInChI=1S/C21H23N3O3/c1-3-24(15-16-9-5-4-6-10-16)20(25)14-13-19-22-23-21(27-19)17-11-7-8-12-18(17)26-2/h4-12H,3,13-15H2,1-2H3
InChIKeyZELUELFJYCPYQP-UHFFFAOYSA-N
XLogP3.73
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334721
N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylphenyl)propanamide
CID 110334846
3-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 39362077
N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylpropanamide
CID 110319915
N-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109022877
N-(2-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334805
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18115741
N-benzyl-N-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 110652615
N-benzyl-N-butyl-3-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 26404535
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
N-[(4-methoxyphenyl)methyl]-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334732
N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-benzyl-N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 110334734) is N-benzyl-N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-benzyl-N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide is CCN(Cc1ccccc1)C(=O)CCc1nnc(-c2ccccc2OC)o1.
What is the InChIKey of N-benzyl-N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is ZELUELFJYCPYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-24(15-16-9-5-4-6-10-16)20(25)14-13-19-22-23-21(27-19)17-11-7-8-12-18(17)26-2/h4-12H,3,13-15H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
N-benzyl-N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 365.43 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 110334734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).