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

C21H23N3O5 — CID 110324159

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCOc1cccc(-c2noc(CCNC(=O)Cc3ccc(OC)c(OC)c3)n2)c1
InChIInChI=1S/C21H23N3O5/c1-26-16-6-4-5-15(13-16)21-23-20(29-24-21)9-10-22-19(25)12-14-7-8-17(27-2)18(11-14)28-3/h4-8,11,13H,9-10,12H2,1-3H3,(H,22,25)
InChIKeyNSBOKIUPLNWVHA-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.66
Rot. Bonds9

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

2-(3,4-dimethoxyphenyl)-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide (PubChem CID 110324159) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
PubChem CID110324159
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
SMILESCOc1cccc(-c2noc(CCNC(=O)Cc3ccc(OC)c(OC)c3)n2)c1
InChIInChI=1S/C21H23N3O5/c1-26-16-6-4-5-15(13-16)21-23-20(29-24-21)9-10-22-19(25)12-14-7-8-17(27-2)18(11-14)28-3/h4-8,11,13H,9-10,12H2,1-3H3,(H,22,25)
InChIKeyNSBOKIUPLNWVHA-UHFFFAOYSA-N
XLogP2.66
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760289
N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 110324148
N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-thiophen-2-ylacetamide
CID 110324143
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9270064
2,6-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 110324222
N-[(3,4-dimethoxyphenyl)methyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17442023
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 9270126
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxybenzamide
CID 4896437
N-(2-methoxyphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 2000634
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342229
N-(5-chloro-2-methoxyphenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100760642
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 2041528

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide (CID 110324159) is 2-(3,4-dimethoxyphenyl)-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide is COc1cccc(-c2noc(CCNC(=O)Cc3ccc(OC)c(OC)c3)n2)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
The InChIKey is NSBOKIUPLNWVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-26-16-6-4-5-15(13-16)21-23-20(29-24-21)9-10-22-19(25)12-14-7-8-17(27-2)18(11-14)28-3/h4-8,11,13H,9-10,12H2,1-3H3,(H,22,25).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide has a molecular weight of 397.43 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 110324159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).