methyl 2-hydroxy-2-(2-methoxy-1,3-benzoxazol-4-yl)acetate

C11H11NO5 — CID 117346029

IUPACmethyl 2-hydroxy-2-(2-methoxy-1,3-benzoxazol-4-yl)acetate
SMILESCOC(=O)C(O)c1cccc2oc(OC)nc12
InChIInChI=1S/C11H11NO5/c1-15-10(14)9(13)6-4-3-5-7-8(6)12-11(16-2)17-7/h3-5,9,13H,1-2H3
InChIKeyLGFDCDOAJLPUJY-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.04
Rot. Bonds3

About methyl 2-hydroxy-2-(2-methoxy-1,3-benzoxazol-4-yl)acetate

methyl 2-hydroxy-2-(2-methoxy-1,3-benzoxazol-4-yl)acetate (PubChem CID 117346029) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(2-methoxy-1,3-benzoxazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(2-methoxy-1,3-benzoxazol-4-yl)acetate
PubChem CID117346029
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Namemethyl 2-hydroxy-2-(2-methoxy-1,3-benzoxazol-4-yl)acetate
SMILESCOC(=O)C(O)c1cccc2oc(OC)nc12
InChIInChI=1S/C11H11NO5/c1-15-10(14)9(13)6-4-3-5-7-8(6)12-11(16-2)17-7/h3-5,9,13H,1-2H3
InChIKeyLGFDCDOAJLPUJY-UHFFFAOYSA-N
XLogP1.04
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(2-methoxy-1,3-benzoxazol-4-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(2-methoxy-1,3-benzoxazol-4-yl)acetate (CID 117346029) is methyl 2-hydroxy-2-(2-methoxy-1,3-benzoxazol-4-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(2-methoxy-1,3-benzoxazol-4-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(2-methoxy-1,3-benzoxazol-4-yl)acetate is COC(=O)C(O)c1cccc2oc(OC)nc12.
What is the InChIKey of methyl 2-hydroxy-2-(2-methoxy-1,3-benzoxazol-4-yl)acetate?
The InChIKey is LGFDCDOAJLPUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c1-15-10(14)9(13)6-4-3-5-7-8(6)12-11(16-2)17-7/h3-5,9,13H,1-2H3.
What are the key properties of methyl 2-hydroxy-2-(2-methoxy-1,3-benzoxazol-4-yl)acetate?
methyl 2-hydroxy-2-(2-methoxy-1,3-benzoxazol-4-yl)acetate has a molecular weight of 237.21 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(2-methoxy-1,3-benzoxazol-4-yl)acetate is sourced from PubChem (CID 117346029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).