2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,4,6-trimethylphenyl)acetamide

C22H22N2O5 — CID 17253978

IUPAC2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)c(C)c1
InChIInChI=1S/C22H22N2O5/c1-13-6-14(2)22(15(3)7-13)23-21(25)11-26-10-17-9-19(29-24-17)16-4-5-18-20(8-16)28-12-27-18/h4-9H,10-12H2,1-3H3,(H,23,25)
InChIKeyBJMIHKGVSXSLNJ-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.15
Rot. Bonds6

About 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,4,6-trimethylphenyl)acetamide

2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 17253978) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID17253978
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)c(C)c1
InChIInChI=1S/C22H22N2O5/c1-13-6-14(2)22(15(3)7-13)23-21(25)11-26-10-17-9-19(29-24-17)16-4-5-18-20(8-16)28-12-27-18/h4-9H,10-12H2,1-3H3,(H,23,25)
InChIKeyBJMIHKGVSXSLNJ-UHFFFAOYSA-N
XLogP4.15
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide
CID 50757777
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-tert-butylacetamide
CID 20906168
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,3-dichlorophenyl)acetamide
CID 17253918
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 17253886
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 20906150
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-1-(4-methylpiperidin-1-yl)ethanone
CID 20906173
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 17253942
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]acetamide
CID 50757756
N-(4,6-dimethylpyrimidin-2-yl)-2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetamide
CID 46275206
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(4-methyl-2-pyridinyl)acetamide
CID 20906258
2-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 75527156
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-methylacetamide
CID 20906254

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,4,6-trimethylphenyl)acetamide (CID 17253978) is 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)COCc2cc(-c3ccc4c(c3)OCO4)on2)c(C)c1.
What is the InChIKey of 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is BJMIHKGVSXSLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-13-6-14(2)22(15(3)7-13)23-21(25)11-26-10-17-9-19(29-24-17)16-4-5-18-20(8-16)28-12-27-18/h4-9H,10-12H2,1-3H3,(H,23,25).
What are the key properties of 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 394.43 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methoxy]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 17253978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).