5-bromo-6-fluoro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione

C12H6BrFN2O3 — CID 61359886

IUPAC5-bromo-6-fluoro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccno2)c2cc(F)c(Br)cc21
InChIInChI=1S/C12H6BrFN2O3/c13-8-3-7-10(4-9(8)14)16(12(18)11(7)17)5-6-1-2-15-19-6/h1-4H,5H2
InChIKeyGJYSWOPJPKVSFD-UHFFFAOYSA-N
MW325.09 g/mol
LogP2.31
Rot. Bonds2

About 5-bromo-6-fluoro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione

5-bromo-6-fluoro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione (PubChem CID 61359886) has the molecular formula C12H6BrFN2O3 and a molecular weight of 325.09 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-6-fluoro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione
PubChem CID61359886
Molecular FormulaC12H6BrFN2O3
Molecular Weight325.09 g/mol
Exact Mass323.95
IUPAC Name5-bromo-6-fluoro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccno2)c2cc(F)c(Br)cc21
InChIInChI=1S/C12H6BrFN2O3/c13-8-3-7-10(4-9(8)14)16(12(18)11(7)17)5-6-1-2-15-19-6/h1-4H,5H2
InChIKeyGJYSWOPJPKVSFD-UHFFFAOYSA-N
XLogP2.31
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.09
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1-(2-chloroethyl)-6-fluoroindole-2,3-dione
CID 61358912
7-chloro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione
CID 61356002
5-bromo-6-fluoro-1-(2-methylprop-2-enyl)indole-2,3-dione
CID 61359301
1-[(4-chloro-2-pyridinyl)methyl]-5,6-difluoroindole-2,3-dione
CID 80727787
5-bromo-6-fluoro-1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]indole-2,3-dione
CID 61359885
5-bromo-1-(4-chlorobut-2-enyl)-6-fluoroindole-2,3-dione
CID 77051204
5-bromo-6-fluoro-1-hexylindole-2,3-dione
CID 61357354
5-bromo-1-(3-bromo-2,2-dimethylpropyl)-6-fluoroindole-2,3-dione
CID 64995372
5-bromo-1-(3-bromo-2-methylpropyl)-6-fluoroindole-2,3-dione
CID 64996249
5-bromo-6-fluoro-1-(3-methylsulfanylpropyl)indole-2,3-dione
CID 113473738
5-bromo-6-fluoro-1-(3-hydroxy-3-methylbutyl)indole-2,3-dione
CID 79360398
5-bromo-6-fluoro-1-[(4-methylmorpholin-2-yl)methyl]indole-2,3-dione
CID 79175166

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione?
The IUPAC name of 5-bromo-6-fluoro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione (CID 61359886) is 5-bromo-6-fluoro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione.
What is the SMILES notation for 5-bromo-6-fluoro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione?
The canonical SMILES for 5-bromo-6-fluoro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione is O=C1C(=O)N(Cc2ccno2)c2cc(F)c(Br)cc21.
What is the InChIKey of 5-bromo-6-fluoro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione?
The InChIKey is GJYSWOPJPKVSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrFN2O3/c13-8-3-7-10(4-9(8)14)16(12(18)11(7)17)5-6-1-2-15-19-6/h1-4H,5H2.
What are the key properties of 5-bromo-6-fluoro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione?
5-bromo-6-fluoro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione has a molecular weight of 325.09 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione is sourced from PubChem (CID 61359886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).