1-(7-hydroxy-1,3-benzoxazol-2-yl)ethanone

C9H7NO3 — CID 119005497

IUPAC1-(7-hydroxy-1,3-benzoxazol-2-yl)ethanone
SMILESCC(=O)c1nc2cccc(O)c2o1
InChIInChI=1S/C9H7NO3/c1-5(11)9-10-6-3-2-4-7(12)8(6)13-9/h2-4,12H,1H3
InChIKeyYDGKQEXYWXUUOM-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.74
Rot. Bonds1

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

1-(7-hydroxy-1,3-benzoxazol-2-yl)ethanone (PubChem CID 119005497) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 1-(7-hydroxy-1,3-benzoxazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(7-hydroxy-1,3-benzoxazol-2-yl)ethanone
PubChem CID119005497
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name1-(7-hydroxy-1,3-benzoxazol-2-yl)ethanone
SMILESCC(=O)c1nc2cccc(O)c2o1
InChIInChI=1S/C9H7NO3/c1-5(11)9-10-6-3-2-4-7(12)8(6)13-9/h2-4,12H,1H3
InChIKeyYDGKQEXYWXUUOM-UHFFFAOYSA-N
XLogP1.74
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxy-1,3-benzoxazol-2-yl)ethanone?
The IUPAC name of 1-(7-hydroxy-1,3-benzoxazol-2-yl)ethanone (CID 119005497) is 1-(7-hydroxy-1,3-benzoxazol-2-yl)ethanone.
What is the SMILES notation for 1-(7-hydroxy-1,3-benzoxazol-2-yl)ethanone?
The canonical SMILES for 1-(7-hydroxy-1,3-benzoxazol-2-yl)ethanone is CC(=O)c1nc2cccc(O)c2o1.
What is the InChIKey of 1-(7-hydroxy-1,3-benzoxazol-2-yl)ethanone?
The InChIKey is YDGKQEXYWXUUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c1-5(11)9-10-6-3-2-4-7(12)8(6)13-9/h2-4,12H,1H3.
What are the key properties of 1-(7-hydroxy-1,3-benzoxazol-2-yl)ethanone?
1-(7-hydroxy-1,3-benzoxazol-2-yl)ethanone has a molecular weight of 177.16 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxy-1,3-benzoxazol-2-yl)ethanone is sourced from PubChem (CID 119005497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).