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

C20H21N3O3 — CID 8836183

IUPACN-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
SMILESCCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)Cc1ccccc1
InChIInChI=1S/C20H21N3O3/c1-3-23(19(24)13-15-7-5-4-6-8-15)14-18-21-20(22-26-18)16-9-11-17(25-2)12-10-16/h4-12H,3,13-14H2,1-2H3
InChIKeyOKMCDCQHZNTBEB-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.34
Rot. Bonds7

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

N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide (PubChem CID 8836183) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
PubChem CID8836183
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
SMILESCCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)Cc1ccccc1
InChIInChI=1S/C20H21N3O3/c1-3-23(19(24)13-15-7-5-4-6-8-15)14-18-21-20(22-26-18)16-9-11-17(25-2)12-10-16/h4-12H,3,13-14H2,1-2H3
InChIKeyOKMCDCQHZNTBEB-UHFFFAOYSA-N
XLogP3.34
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(4-methoxyphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8836273
(2S)-N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenoxybutanamide
CID 8875213
N-ethyl-3-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 8836343
N-ethyl-2-(4-methoxyphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 6494951
N,N-diethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
CID 86908909
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-(4-methylphenyl)acetamide
CID 8874831
3-tert-butyl-1-ethyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 8895859
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-dipropylacetamide
CID 110416420
N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanecarboxamide
CID 6464149
N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-propoxybenzamide
CID 8778966
2-chloro-N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylbenzamide
CID 8874447
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-(4-methylphenoxy)acetamide
CID 6494754

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide?
The IUPAC name of N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide (CID 8836183) is N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide?
The canonical SMILES for N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide is CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)Cc1ccccc1.
What is the InChIKey of N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide?
The InChIKey is OKMCDCQHZNTBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-23(19(24)13-15-7-5-4-6-8-15)14-18-21-20(22-26-18)16-9-11-17(25-2)12-10-16/h4-12H,3,13-14H2,1-2H3.
What are the key properties of N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide?
N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide has a molecular weight of 351.41 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 8836183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).