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

C17H21N3O6 — CID 113181914

IUPAC2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(C(C)=O)c2cc(C)on2)cc(OC)c1OC
InChIInChI=1S/C17H21N3O6/c1-10-6-15(19-26-10)20(11(2)21)9-16(22)18-12-7-13(23-3)17(25-5)14(8-12)24-4/h6-8H,9H2,1-5H3,(H,18,22)
InChIKeyXSAAAWXCUJTOEI-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.00
Rot. Bonds7

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

2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 113181914) has the molecular formula C17H21N3O6 and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID113181914
Molecular FormulaC17H21N3O6
Molecular Weight363.37 g/mol
Exact Mass363.14
IUPAC Name2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(C(C)=O)c2cc(C)on2)cc(OC)c1OC
InChIInChI=1S/C17H21N3O6/c1-10-6-15(19-26-10)20(11(2)21)9-16(22)18-12-7-13(23-3)17(25-5)14(8-12)24-4/h6-8H,9H2,1-5H3,(H,18,22)
InChIKeyXSAAAWXCUJTOEI-UHFFFAOYSA-N
XLogP2.00
TPSA103.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methoxyphenyl)acetamide
CID 113181870
N'-(5-methyl-1,2-oxazol-3-yl)-N-(3,4,5-trimethoxyphenyl)propanediamide
CID 108956802
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-fluorophenyl)acetamide
CID 113181855
ethyl 4-[[2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]acetyl]amino]benzoate
CID 113181912
2-(N-acetyl-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113167430
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chlorophenyl)acetamide
CID 113181857
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(3,5-dimethylphenyl)acetamide
CID 113179163
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113181908
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 113181841
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 113181859
2-(N-acetyl-5-chloro-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113172914
2-[acetyl(2-methoxyethyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113159965

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 113181914) is 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CN(C(C)=O)c2cc(C)on2)cc(OC)c1OC.
What is the InChIKey of 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is XSAAAWXCUJTOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O6/c1-10-6-15(19-26-10)20(11(2)21)9-16(22)18-12-7-13(23-3)17(25-5)14(8-12)24-4/h6-8H,9H2,1-5H3,(H,18,22).
What are the key properties of 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 363.37 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 113181914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).