ethyl 2-(7-hydroxy-1,3-benzoxazol-2-yl)acetate

C11H11NO4 — CID 102591089

IUPACethyl 2-(7-hydroxy-1,3-benzoxazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc2cccc(O)c2o1
InChIInChI=1S/C11H11NO4/c1-2-15-10(14)6-9-12-7-4-3-5-8(13)11(7)16-9/h3-5,13H,2,6H2,1H3
InChIKeyBAIGMURVAFBVGE-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.64
Rot. Bonds3

About ethyl 2-(7-hydroxy-1,3-benzoxazol-2-yl)acetate

ethyl 2-(7-hydroxy-1,3-benzoxazol-2-yl)acetate (PubChem CID 102591089) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is ethyl 2-(7-hydroxy-1,3-benzoxazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-hydroxy-1,3-benzoxazol-2-yl)acetate
PubChem CID102591089
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Nameethyl 2-(7-hydroxy-1,3-benzoxazol-2-yl)acetate
SMILESCCOC(=O)Cc1nc2cccc(O)c2o1
InChIInChI=1S/C11H11NO4/c1-2-15-10(14)6-9-12-7-4-3-5-8(13)11(7)16-9/h3-5,13H,2,6H2,1H3
InChIKeyBAIGMURVAFBVGE-UHFFFAOYSA-N
XLogP1.64
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[7-(trifluoromethyl)-1,3-benzoxazol-2-yl]acetate
CID 68637594
ethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate
CID 164562691
ethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)acetate
CID 14971801
ethyl 2-(7-chloro-4-oxo-3,1-benzoxazin-2-yl)acetate
CID 166443613
(7-ethyl-1,3-benzoxazol-2-yl)methanamine
CID 82229700
(7-ethoxy-1,3-benzoxazol-2-yl)methanamine
CID 130980249
ethyl 2-(6,7-difluoro-4-oxo-3,1-benzoxazin-2-yl)acetate
CID 166442832
ethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-oxazole-4-carboxylate
CID 102243359
ethane;ethyl 2-(2-hydroxyphenyl)acetate
CID 153350759
ethyl 3-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)propanoate
CID 139671320
ethyl 2-[4,5-bis(4-aminophenyl)-1,3-oxazol-2-yl]acetate
CID 58533133
ethyl 2-(10,14-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-12-yl)acetate
CID 11462091

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-hydroxy-1,3-benzoxazol-2-yl)acetate?
The IUPAC name of ethyl 2-(7-hydroxy-1,3-benzoxazol-2-yl)acetate (CID 102591089) is ethyl 2-(7-hydroxy-1,3-benzoxazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(7-hydroxy-1,3-benzoxazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(7-hydroxy-1,3-benzoxazol-2-yl)acetate is CCOC(=O)Cc1nc2cccc(O)c2o1.
What is the InChIKey of ethyl 2-(7-hydroxy-1,3-benzoxazol-2-yl)acetate?
The InChIKey is BAIGMURVAFBVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-2-15-10(14)6-9-12-7-4-3-5-8(13)11(7)16-9/h3-5,13H,2,6H2,1H3.
What are the key properties of ethyl 2-(7-hydroxy-1,3-benzoxazol-2-yl)acetate?
ethyl 2-(7-hydroxy-1,3-benzoxazol-2-yl)acetate has a molecular weight of 221.21 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-hydroxy-1,3-benzoxazol-2-yl)acetate is sourced from PubChem (CID 102591089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).