ethyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]oxybenzoate

C16H18N2O7S — CID 9455723

IUPACethyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]oxybenzoate
SMILESCCOC(=O)c1ccc(OC(=O)CNS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C16H18N2O7S/c1-4-23-16(20)12-5-7-13(8-6-12)24-14(19)9-17-26(21,22)15-10(2)18-25-11(15)3/h5-8,17H,4,9H2,1-3H3
InChIKeyZGTOHEXTVNJVRV-UHFFFAOYSA-N
MW382.39 g/mol
LogP1.35
Rot. Bonds7

About ethyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]oxybenzoate

ethyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]oxybenzoate (PubChem CID 9455723) has the molecular formula C16H18N2O7S and a molecular weight of 382.39 g/mol. Its IUPAC name is ethyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]oxybenzoate.

Molecular Properties

Compound Nameethyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]oxybenzoate
PubChem CID9455723
Molecular FormulaC16H18N2O7S
Molecular Weight382.39 g/mol
Exact Mass382.08
IUPAC Nameethyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]oxybenzoate
SMILESCCOC(=O)c1ccc(OC(=O)CNS(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C16H18N2O7S/c1-4-23-16(20)12-5-7-13(8-6-12)24-14(19)9-17-26(21,22)15-10(2)18-25-11(15)3/h5-8,17H,4,9H2,1-3H3
InChIKeyZGTOHEXTVNJVRV-UHFFFAOYSA-N
XLogP1.35
TPSA124.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoate
CID 7400931
methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]benzoate
CID 110295798
ethyl 4-[2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetyl]oxybenzoate
CID 9455692
3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide
CID 64994317
[2-(4-ethylphenyl)-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate
CID 8614503
(5-acetyl-2-methoxyphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
CID 8737041
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
CID 8737234
(2,3-difluorophenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
CID 40767791
[2-(1-adamantyl)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
CID 8737017
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
CID 8737077
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-4-methylbenzamide
CID 108570686
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-hexoxybenzohydrazide
CID 8617635

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]oxybenzoate?
The IUPAC name of ethyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]oxybenzoate (CID 9455723) is ethyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]oxybenzoate.
What is the SMILES notation for ethyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]oxybenzoate?
The canonical SMILES for ethyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]oxybenzoate is CCOC(=O)c1ccc(OC(=O)CNS(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of ethyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]oxybenzoate?
The InChIKey is ZGTOHEXTVNJVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O7S/c1-4-23-16(20)12-5-7-13(8-6-12)24-14(19)9-17-26(21,22)15-10(2)18-25-11(15)3/h5-8,17H,4,9H2,1-3H3.
What are the key properties of ethyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]oxybenzoate?
ethyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]oxybenzoate has a molecular weight of 382.39 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]oxybenzoate is sourced from PubChem (CID 9455723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).