1,3-benzoxazol-4-ol;ethyl acetate

C11H13NO4 — CID 66895346

IUPAC1,3-benzoxazol-4-ol;ethyl acetate
SMILESCCOC(C)=O.Oc1cccc2ocnc12
InChIInChI=1S/C7H5NO2.C4H8O2/c9-5-2-1-3-6-7(5)8-4-10-6;1-3-6-4(2)5/h1-4,9H;3H2,1-2H3
InChIKeyMNDVSEPBHWPIEI-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.10
Rot. Bonds1

About 1,3-benzoxazol-4-ol;ethyl acetate

1,3-benzoxazol-4-ol;ethyl acetate (PubChem CID 66895346) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1,3-benzoxazol-4-ol;ethyl acetate.

Molecular Properties

Compound Name1,3-benzoxazol-4-ol;ethyl acetate
PubChem CID66895346
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name1,3-benzoxazol-4-ol;ethyl acetate
SMILESCCOC(C)=O.Oc1cccc2ocnc12
InChIInChI=1S/C7H5NO2.C4H8O2/c9-5-2-1-3-6-7(5)8-4-10-6;1-3-6-4(2)5/h1-4,9H;3H2,1-2H3
InChIKeyMNDVSEPBHWPIEI-UHFFFAOYSA-N
XLogP2.10
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazol-4-ol;ethyl acetate?
The IUPAC name of 1,3-benzoxazol-4-ol;ethyl acetate (CID 66895346) is 1,3-benzoxazol-4-ol;ethyl acetate.
What is the SMILES notation for 1,3-benzoxazol-4-ol;ethyl acetate?
The canonical SMILES for 1,3-benzoxazol-4-ol;ethyl acetate is CCOC(C)=O.Oc1cccc2ocnc12.
What is the InChIKey of 1,3-benzoxazol-4-ol;ethyl acetate?
The InChIKey is MNDVSEPBHWPIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2.C4H8O2/c9-5-2-1-3-6-7(5)8-4-10-6;1-3-6-4(2)5/h1-4,9H;3H2,1-2H3.
What are the key properties of 1,3-benzoxazol-4-ol;ethyl acetate?
1,3-benzoxazol-4-ol;ethyl acetate has a molecular weight of 223.23 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazol-4-ol;ethyl acetate is sourced from PubChem (CID 66895346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).