ethyl 2-(5-ethyl-4-hydroxy-1,2-benzoxazol-3-yl)acetate

C13H15NO4 — CID 167001401

IUPACethyl 2-(5-ethyl-4-hydroxy-1,2-benzoxazol-3-yl)acetate
SMILESCCOC(=O)Cc1noc2ccc(CC)c(O)c12
InChIInChI=1S/C13H15NO4/c1-3-8-5-6-10-12(13(8)16)9(14-18-10)7-11(15)17-4-2/h5-6,16H,3-4,7H2,1-2H3
InChIKeyVRGSPGPXUANPLZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.20
Rot. Bonds4

About ethyl 2-(5-ethyl-4-hydroxy-1,2-benzoxazol-3-yl)acetate

ethyl 2-(5-ethyl-4-hydroxy-1,2-benzoxazol-3-yl)acetate (PubChem CID 167001401) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is ethyl 2-(5-ethyl-4-hydroxy-1,2-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-ethyl-4-hydroxy-1,2-benzoxazol-3-yl)acetate
PubChem CID167001401
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Nameethyl 2-(5-ethyl-4-hydroxy-1,2-benzoxazol-3-yl)acetate
SMILESCCOC(=O)Cc1noc2ccc(CC)c(O)c12
InChIInChI=1S/C13H15NO4/c1-3-8-5-6-10-12(13(8)16)9(14-18-10)7-11(15)17-4-2/h5-6,16H,3-4,7H2,1-2H3
InChIKeyVRGSPGPXUANPLZ-UHFFFAOYSA-N
XLogP2.20
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(7-fluorobenzo[e][1,2]benzoxazol-1-yl)acetate
CID 164736922
ethyl 2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]benzo[e][1,2]benzoxazol-1-yl]acetate
CID 175625434
ethyl 2-[7-(2-methoxyethoxy)benzo[e][1,2]benzoxazol-1-yl]acetate
CID 167001179
ethyl 2-furo[3,2-f][1,2]benzoxazol-3-ylacetate
CID 164736948
ethyl 2-(4-amino-1,2,5-oxadiazol-3-yl)acetate
CID 82358306
ethyl 5-bromo-4-methyl-1,2-benzoxazole-3-carboxylate
CID 134129683
ethyl 2-[4-[(E)-2-ethoxyethenyl]-5-[(3-phenylmethoxycyclobutyl)amino]-1,2-benzoxazol-3-yl]acetate
CID 176741837
ethyl 2-(2-ethylphenyl)acetate
CID 45489731
ethyl 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)acetate
CID 129116376
ethyl 2-(3,4-dichloro-2-hydroxyphenyl)acetate
CID 171030260
ethyl 2-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474427
ethyl 2-[7-(hydroxymethylamino)-7,8-dihydro-6H-cyclopenta[g][1,2]benzoxazol-3-yl]acetate
CID 170006091

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-ethyl-4-hydroxy-1,2-benzoxazol-3-yl)acetate?
The IUPAC name of ethyl 2-(5-ethyl-4-hydroxy-1,2-benzoxazol-3-yl)acetate (CID 167001401) is ethyl 2-(5-ethyl-4-hydroxy-1,2-benzoxazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(5-ethyl-4-hydroxy-1,2-benzoxazol-3-yl)acetate?
The canonical SMILES for ethyl 2-(5-ethyl-4-hydroxy-1,2-benzoxazol-3-yl)acetate is CCOC(=O)Cc1noc2ccc(CC)c(O)c12.
What is the InChIKey of ethyl 2-(5-ethyl-4-hydroxy-1,2-benzoxazol-3-yl)acetate?
The InChIKey is VRGSPGPXUANPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-3-8-5-6-10-12(13(8)16)9(14-18-10)7-11(15)17-4-2/h5-6,16H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-(5-ethyl-4-hydroxy-1,2-benzoxazol-3-yl)acetate?
ethyl 2-(5-ethyl-4-hydroxy-1,2-benzoxazol-3-yl)acetate has a molecular weight of 249.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-ethyl-4-hydroxy-1,2-benzoxazol-3-yl)acetate is sourced from PubChem (CID 167001401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).