4-(5-bromo-2-fluorophenyl)-4-cyclopropyl-1,3-oxazolidin-2-one

C12H11BrFNO2 — CID 58155231

IUPAC4-(5-bromo-2-fluorophenyl)-4-cyclopropyl-1,3-oxazolidin-2-one
SMILESO=C1NC(c2cc(Br)ccc2F)(C2CC2)CO1
InChIInChI=1S/C12H11BrFNO2/c13-8-3-4-10(14)9(5-8)12(7-1-2-7)6-17-11(16)15-12/h3-5,7H,1-2,6H2,(H,15,16)
InChIKeyADODKGPOWQVLEI-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.93
Rot. Bonds2

About 4-(5-bromo-2-fluorophenyl)-4-cyclopropyl-1,3-oxazolidin-2-one

4-(5-bromo-2-fluorophenyl)-4-cyclopropyl-1,3-oxazolidin-2-one (PubChem CID 58155231) has the molecular formula C12H11BrFNO2 and a molecular weight of 300.13 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-4-cyclopropyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-4-cyclopropyl-1,3-oxazolidin-2-one
PubChem CID58155231
Molecular FormulaC12H11BrFNO2
Molecular Weight300.13 g/mol
Exact Mass299.00
IUPAC Name4-(5-bromo-2-fluorophenyl)-4-cyclopropyl-1,3-oxazolidin-2-one
SMILESO=C1NC(c2cc(Br)ccc2F)(C2CC2)CO1
InChIInChI=1S/C12H11BrFNO2/c13-8-3-4-10(14)9(5-8)12(7-1-2-7)6-17-11(16)15-12/h3-5,7H,1-2,6H2,(H,15,16)
InChIKeyADODKGPOWQVLEI-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-4-cyclopropyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-4-cyclopropyl-1,3-oxazolidin-2-one (CID 58155231) is 4-(5-bromo-2-fluorophenyl)-4-cyclopropyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-4-cyclopropyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-4-cyclopropyl-1,3-oxazolidin-2-one is O=C1NC(c2cc(Br)ccc2F)(C2CC2)CO1.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-4-cyclopropyl-1,3-oxazolidin-2-one?
The InChIKey is ADODKGPOWQVLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO2/c13-8-3-4-10(14)9(5-8)12(7-1-2-7)6-17-11(16)15-12/h3-5,7H,1-2,6H2,(H,15,16).
What are the key properties of 4-(5-bromo-2-fluorophenyl)-4-cyclopropyl-1,3-oxazolidin-2-one?
4-(5-bromo-2-fluorophenyl)-4-cyclopropyl-1,3-oxazolidin-2-one has a molecular weight of 300.13 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-4-cyclopropyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58155231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).