2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

C21H22N2O6 — CID 110316742

IUPAC2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cccc(-c2cc(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)no2)c1
InChIInChI=1S/C21H22N2O6/c1-25-16-7-5-6-13(8-16)17-11-15(23-29-17)12-20(24)22-14-9-18(26-2)21(28-4)19(10-14)27-3/h5-11H,12H2,1-4H3,(H,22,24)
InChIKeyFKGUARNCWYWMAQ-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.56
Rot. Bonds8

About 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 110316742) has the molecular formula C21H22N2O6 and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID110316742
Molecular FormulaC21H22N2O6
Molecular Weight398.42 g/mol
Exact Mass398.15
IUPAC Name2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cccc(-c2cc(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)no2)c1
InChIInChI=1S/C21H22N2O6/c1-25-16-7-5-6-13(8-16)17-11-15(23-29-17)12-20(24)22-14-9-18(26-2)21(28-4)19(10-14)27-3/h5-11H,12H2,1-4H3,(H,22,24)
InChIKeyFKGUARNCWYWMAQ-UHFFFAOYSA-N
XLogP3.56
TPSA92.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-methylphenyl)acetamide
CID 16878981
N-(3-acetylphenyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879006
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-phenoxyphenyl)acetamide
CID 16879011
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 110313567
2-[[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzamide
CID 16879078
N-(4-methoxyphenyl)-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878325
N-[3-(dimethylamino)propyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16878943
N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313759
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3-nitrophenyl)acetamide
CID 16879164
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 16879407
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylcyclohexyl)acetamide
CID 16878951
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867057

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 110316742) is 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cccc(-c2cc(CC(=O)Nc3cc(OC)c(OC)c(OC)c3)no2)c1.
What is the InChIKey of 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is FKGUARNCWYWMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6/c1-25-16-7-5-6-13(8-16)17-11-15(23-29-17)12-20(24)22-14-9-18(26-2)21(28-4)19(10-14)27-3/h5-11H,12H2,1-4H3,(H,22,24).
What are the key properties of 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 398.42 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 110316742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).