5,7-dihydroxy-3H-1,3-benzoxazol-2-one

C7H5NO4 — CID 11701104

IUPAC5,7-dihydroxy-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(O)cc(O)c2o1
InChIInChI=1S/C7H5NO4/c9-3-1-4-6(5(10)2-3)12-7(11)8-4/h1-2,9-10H,(H,8,11)
InChIKeyQSAFIXHOAUIWTE-UHFFFAOYSA-N
MW167.12 g/mol
LogP0.53
Rot. Bonds

About 5,7-dihydroxy-3H-1,3-benzoxazol-2-one

5,7-dihydroxy-3H-1,3-benzoxazol-2-one (PubChem CID 11701104) has the molecular formula C7H5NO4 and a molecular weight of 167.12 g/mol. Its IUPAC name is 5,7-dihydroxy-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5,7-dihydroxy-3H-1,3-benzoxazol-2-one
PubChem CID11701104
Molecular FormulaC7H5NO4
Molecular Weight167.12 g/mol
Exact Mass167.02
IUPAC Name5,7-dihydroxy-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(O)cc(O)c2o1
InChIInChI=1S/C7H5NO4/c9-3-1-4-6(5(10)2-3)12-7(11)8-4/h1-2,9-10H,(H,8,11)
InChIKeyQSAFIXHOAUIWTE-UHFFFAOYSA-N
XLogP0.53
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5,7-dihydroxy-3H-1,3-benzoxazol-2-one (CID 11701104) is 5,7-dihydroxy-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5,7-dihydroxy-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5,7-dihydroxy-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(O)cc(O)c2o1.
What is the InChIKey of 5,7-dihydroxy-3H-1,3-benzoxazol-2-one?
The InChIKey is QSAFIXHOAUIWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO4/c9-3-1-4-6(5(10)2-3)12-7(11)8-4/h1-2,9-10H,(H,8,11).
What are the key properties of 5,7-dihydroxy-3H-1,3-benzoxazol-2-one?
5,7-dihydroxy-3H-1,3-benzoxazol-2-one has a molecular weight of 167.12 g/mol, XLogP of 0.53, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 11701104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).