5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one

C7H4ClNO3 — CID 171035252

IUPAC5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one
SMILESO=c1[15nH]c2cc(Cl)c(O)cc2o1
InChIInChI=1S/C7H4ClNO3/c8-3-1-4-6(2-5(3)10)12-7(11)9-4/h1-2,10H,(H,9,11)/i9+1
InChIKeyAGLXDWOTVQZHIQ-QBZHADDCSA-N
MW186.56 g/mol
LogP1.48
Rot. Bonds

About 5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one

5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one (PubChem CID 171035252) has the molecular formula C7H4ClNO3 and a molecular weight of 186.56 g/mol. Its IUPAC name is 5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one
PubChem CID171035252
Molecular FormulaC7H4ClNO3
Molecular Weight186.56 g/mol
Exact Mass185.99
IUPAC Name5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one
SMILESO=c1[15nH]c2cc(Cl)c(O)cc2o1
InChIInChI=1S/C7H4ClNO3/c8-3-1-4-6(2-5(3)10)12-7(11)9-4/h1-2,10H,(H,9,11)/i9+1
InChIKeyAGLXDWOTVQZHIQ-QBZHADDCSA-N
XLogP1.48
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.56
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
CID 102579895
5-chloro-6-[(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 169443599
CID 67925044
CID 67925044
6-chloro-5-fluoro-3H-1,3-benzoxazol-2-one
CID 58343933
2-chloro-6-hydroxy-4H-furo[3,2-b]pyridin-5-one
CID 46211991
5-chloro-6-phenoxy-3H-1,3-benzoxazol-2-one
CID 13477438
5,6-difluoro-3H-1,3-benzoxazol-2-one
CID 11535637
5-chloro-6-(3-fluorobenzoyl)-3H-1,3-benzoxazol-2-one
CID 10266302
5-chloro-6-(oxetan-3-ylmethoxy)-3H-1,3-benzoxazol-2-one
CID 144865748
1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 155113953
6-(4-bromo-3-chlorobenzoyl)-3H-1,3-benzoxazol-2-one
CID 81290552
6-(3-chloro-4-fluorobenzoyl)-3H-1,3-benzoxazol-2-one
CID 82875002

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one (CID 171035252) is 5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one is O=c1[15nH]c2cc(Cl)c(O)cc2o1.
What is the InChIKey of 5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one?
The InChIKey is AGLXDWOTVQZHIQ-QBZHADDCSA-N. The full InChI is InChI=1S/C7H4ClNO3/c8-3-1-4-6(2-5(3)10)12-7(11)9-4/h1-2,10H,(H,9,11)/i9+1.
What are the key properties of 5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one?
5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one has a molecular weight of 186.56 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 171035252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).