[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

C19H23NO6 — CID 2442775

IUPAC[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCc1noc(C)c1COc1ccc(C(=O)OCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H23NO6/c1-12-16(13(2)26-20-12)10-23-15-8-6-14(7-9-15)18(22)24-11-17(21)25-19(3,4)5/h6-9H,10-11H2,1-5H3
InChIKeyAJGPHQYJPBGFIW-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.37
Rot. Bonds6

About [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate

[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (PubChem CID 2442775) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Name[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
PubChem CID2442775
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Name[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
SMILESCc1noc(C)c1COc1ccc(C(=O)OCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H23NO6/c1-12-16(13(2)26-20-12)10-23-15-8-6-14(7-9-15)18(22)24-11-17(21)25-19(3,4)5/h6-9H,10-11H2,1-5H3
InChIKeyAJGPHQYJPBGFIW-UHFFFAOYSA-N
XLogP3.37
TPSA87.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate with MolForge

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Related Compounds

Cyanomethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 2085889
Ethyl 5-(2-furyl)-3-methyl-4-isoxazolecarboxylate
CID 2818509
4-[(Dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzaldehyde
CID 2474265
4-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 706052
F1143-2849
CID 675503
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 2570598
1-Cyanoethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 5030119
[2-(3,4-Dimethoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660675
[2-(2,4-Dimethoxyphenyl)-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 8099017
3-[(Dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 704150
Ethyl 5-(5-(2-hydroxy-4-methoxy-5-propylphenyl)-3-methylisoxazol-4-yl)furan-2-carboxylate
CID 1547805
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 3-phenoxypropanoate
CID 2087378

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The IUPAC name of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate (CID 2442775) is [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate.
What is the SMILES notation for [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The canonical SMILES for [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)OC(C)(C)C)cc1.
What is the InChIKey of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
The InChIKey is AJGPHQYJPBGFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6/c1-12-16(13(2)26-20-12)10-23-15-8-6-14(7-9-15)18(22)24-11-17(21)25-19(3,4)5/h6-9H,10-11H2,1-5H3.
What are the key properties of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate?
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate has a molecular weight of 361.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 2442775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).