ethyl 2-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)-2-hydroxyacetate

C13H15NO5 — CID 117416740

IUPACethyl 2-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc2oc(=O)n(CC)c2c1
InChIInChI=1S/C13H15NO5/c1-3-14-9-7-8(11(15)12(16)18-4-2)5-6-10(9)19-13(14)17/h5-7,11,15H,3-4H2,1-2H3
InChIKeyHXYFFEOKZHAAOE-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.21
Rot. Bonds4

About ethyl 2-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)-2-hydroxyacetate

ethyl 2-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)-2-hydroxyacetate (PubChem CID 117416740) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is ethyl 2-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)-2-hydroxyacetate
PubChem CID117416740
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Nameethyl 2-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc2oc(=O)n(CC)c2c1
InChIInChI=1S/C13H15NO5/c1-3-14-9-7-8(11(15)12(16)18-4-2)5-6-10(9)19-13(14)17/h5-7,11,15H,3-4H2,1-2H3
InChIKeyHXYFFEOKZHAAOE-UHFFFAOYSA-N
XLogP1.21
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(methylamino)-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetate
CID 116961355
5-[amino(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116939680
ethyl 2-hydroxy-2-(2-methyl-1-benzofuran-5-yl)acetate
CID 117340140
2-[2-amino-2-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)ethoxy]acetamide
CID 62299705
3-ethyl-5-propyl-1,3-benzoxazol-2-one
CID 70297213
3-ethyl-5-(hydroxymethyl)-1,3-benzoxazol-2-one
CID 82357274
6-(2-aminopropanoyl)-3-ethyl-1,3-benzoxazol-2-one
CID 82341277
ethyl 2-(3,4-dihydroxyphenyl)-2-hydroxyacetate
CID 69387082
4-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297645
3-ethyl-6-[(5-ethylthiophen-2-yl)-hydroxymethyl]-1,3-benzoxazol-2-one
CID 62300930
3-ethyl-6-[hydroxy-(5-methylthiophen-2-yl)methyl]-1,3-benzoxazol-2-one
CID 62299881
ethyl 2-hydroxy-2-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetate
CID 117412349

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)-2-hydroxyacetate (CID 117416740) is ethyl 2-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)-2-hydroxyacetate is CCOC(=O)C(O)c1ccc2oc(=O)n(CC)c2c1.
What is the InChIKey of ethyl 2-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)-2-hydroxyacetate?
The InChIKey is HXYFFEOKZHAAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-3-14-9-7-8(11(15)12(16)18-4-2)5-6-10(9)19-13(14)17/h5-7,11,15H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)-2-hydroxyacetate?
ethyl 2-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)-2-hydroxyacetate has a molecular weight of 265.26 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethyl-2-oxo-1,3-benzoxazol-5-yl)-2-hydroxyacetate is sourced from PubChem (CID 117416740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).