7-hydroxy-3H-1,3-benzoxazol-2-one

C7H5NO3 — CID 15588672

IUPAC7-hydroxy-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cccc(O)c2o1
InChIInChI=1S/C7H5NO3/c9-5-3-1-2-4-6(5)11-7(10)8-4/h1-3,9H,(H,8,10)
InChIKeyXRJHHLMYEZQDKI-UHFFFAOYSA-N
MW151.12 g/mol
LogP0.83
Rot. Bonds

About 7-hydroxy-3H-1,3-benzoxazol-2-one

7-hydroxy-3H-1,3-benzoxazol-2-one (PubChem CID 15588672) has the molecular formula C7H5NO3 and a molecular weight of 151.12 g/mol. Its IUPAC name is 7-hydroxy-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-hydroxy-3H-1,3-benzoxazol-2-one
PubChem CID15588672
Molecular FormulaC7H5NO3
Molecular Weight151.12 g/mol
Exact Mass151.03
IUPAC Name7-hydroxy-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cccc(O)c2o1
InChIInChI=1S/C7H5NO3/c9-5-3-1-2-4-6(5)11-7(10)8-4/h1-3,9H,(H,8,10)
InChIKeyXRJHHLMYEZQDKI-UHFFFAOYSA-N
XLogP0.83
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3H-1,3-benzoxazol-2-one?
The IUPAC name of 7-hydroxy-3H-1,3-benzoxazol-2-one (CID 15588672) is 7-hydroxy-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-hydroxy-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 7-hydroxy-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cccc(O)c2o1.
What is the InChIKey of 7-hydroxy-3H-1,3-benzoxazol-2-one?
The InChIKey is XRJHHLMYEZQDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO3/c9-5-3-1-2-4-6(5)11-7(10)8-4/h1-3,9H,(H,8,10).
What are the key properties of 7-hydroxy-3H-1,3-benzoxazol-2-one?
7-hydroxy-3H-1,3-benzoxazol-2-one has a molecular weight of 151.12 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 15588672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).