N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-phenoxyacetamide

C20H23N3O5 — CID 10475171

IUPACN-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-phenoxyacetamide
SMILESCOc1ccc(C2=NOC(C)(C)N2NC(=O)COc2ccccc2)c(OC)c1
InChIInChI=1S/C20H23N3O5/c1-20(2)23(21-18(24)13-27-14-8-6-5-7-9-14)19(22-28-20)16-11-10-15(25-3)12-17(16)26-4/h5-12H,13H2,1-4H3,(H,21,24)
InChIKeyGHVBKBDJKGWHOA-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.54
Rot. Bonds7

About N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-phenoxyacetamide

N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-phenoxyacetamide (PubChem CID 10475171) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-phenoxyacetamide
PubChem CID10475171
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-phenoxyacetamide
SMILESCOc1ccc(C2=NOC(C)(C)N2NC(=O)COc2ccccc2)c(OC)c1
InChIInChI=1S/C20H23N3O5/c1-20(2)23(21-18(24)13-27-14-8-6-5-7-9-14)19(22-28-20)16-11-10-15(25-3)12-17(16)26-4/h5-12H,13H2,1-4H3,(H,21,24)
InChIKeyGHVBKBDJKGWHOA-UHFFFAOYSA-N
XLogP2.54
TPSA81.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]furan-2-carboxamide
CID 10427652
2-phenoxy-N-(3-phenyl-1,8-dioxa-2,4-diazaspiro[4.5]dec-2-en-4-yl)acetamide
CID 57435797
N-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 110789762
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
(5R)-3-(2,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 95658937
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
3-(2,4-dimethoxyphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 46399913
N-(2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19204029
3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 4567255
methyl 4-methoxy-2-(2-phenoxyethoxy)benzoate
CID 78766507

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-phenoxyacetamide?
The IUPAC name of N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-phenoxyacetamide (CID 10475171) is N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-phenoxyacetamide is COc1ccc(C2=NOC(C)(C)N2NC(=O)COc2ccccc2)c(OC)c1.
What is the InChIKey of N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-phenoxyacetamide?
The InChIKey is GHVBKBDJKGWHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-20(2)23(21-18(24)13-27-14-8-6-5-7-9-14)19(22-28-20)16-11-10-15(25-3)12-17(16)26-4/h5-12H,13H2,1-4H3,(H,21,24).
What are the key properties of N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-phenoxyacetamide?
N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-phenoxyacetamide has a molecular weight of 385.42 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dimethoxyphenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-2-phenoxyacetamide is sourced from PubChem (CID 10475171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).