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

C21H23N3O4 — CID 110626932

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide
SMILESCOc1ccc(-c2noc(CC(=O)N(C)CCc3ccccc3OC)n2)cc1
InChIInChI=1S/C21H23N3O4/c1-24(13-12-15-6-4-5-7-18(15)27-3)20(25)14-19-22-21(23-28-19)16-8-10-17(26-2)11-9-16/h4-11H,12-14H2,1-3H3
InChIKeyHWVORLBQEQANPK-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.00
Rot. Bonds8

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

N-[2-(2-methoxyphenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide (PubChem CID 110626932) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide
PubChem CID110626932
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide
SMILESCOc1ccc(-c2noc(CC(=O)N(C)CCc3ccccc3OC)n2)cc1
InChIInChI=1S/C21H23N3O4/c1-24(13-12-15-6-4-5-7-18(15)27-3)20(25)14-19-22-21(23-28-19)16-8-10-17(26-2)11-9-16/h4-11H,12-14H2,1-3H3
InChIKeyHWVORLBQEQANPK-UHFFFAOYSA-N
XLogP3.00
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287852
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylacetamide
CID 6625938
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-dipropylacetamide
CID 110416420
ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474663
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 35347663
4-methoxy-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6461980
2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110324222
N-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 20851563
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-phenoxybutanamide
CID 8875186
N-[2-(diethylamino)-2-oxoethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 55518191
N-[2-(2-fluorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110411078
2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 78853235

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide (CID 110626932) is N-[2-(2-methoxyphenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide is COc1ccc(-c2noc(CC(=O)N(C)CCc3ccccc3OC)n2)cc1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide?
The InChIKey is HWVORLBQEQANPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-24(13-12-15-6-4-5-7-18(15)27-3)20(25)14-19-22-21(23-28-19)16-8-10-17(26-2)11-9-16/h4-11H,12-14H2,1-3H3.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide?
N-[2-(2-methoxyphenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide has a molecular weight of 381.43 g/mol, XLogP of 3.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylacetamide is sourced from PubChem (CID 110626932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).