4-(2-fluorocyclopropyl)-3,4-diphenyl-1,3-oxazolidin-2-one

C18H16FNO2 — CID 139631517

IUPAC4-(2-fluorocyclopropyl)-3,4-diphenyl-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccccc2)(C2CC2F)N1c1ccccc1
InChIInChI=1S/C18H16FNO2/c19-16-11-15(16)18(13-7-3-1-4-8-13)12-22-17(21)20(18)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyXNAFQTSHSJJDIQ-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.90
Rot. Bonds3

About 4-(2-fluorocyclopropyl)-3,4-diphenyl-1,3-oxazolidin-2-one

4-(2-fluorocyclopropyl)-3,4-diphenyl-1,3-oxazolidin-2-one (PubChem CID 139631517) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 4-(2-fluorocyclopropyl)-3,4-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(2-fluorocyclopropyl)-3,4-diphenyl-1,3-oxazolidin-2-one
PubChem CID139631517
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name4-(2-fluorocyclopropyl)-3,4-diphenyl-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccccc2)(C2CC2F)N1c1ccccc1
InChIInChI=1S/C18H16FNO2/c19-16-11-15(16)18(13-7-3-1-4-8-13)12-22-17(21)20(18)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyXNAFQTSHSJJDIQ-UHFFFAOYSA-N
XLogP3.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorocyclopropyl)-3,4-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(2-fluorocyclopropyl)-3,4-diphenyl-1,3-oxazolidin-2-one (CID 139631517) is 4-(2-fluorocyclopropyl)-3,4-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(2-fluorocyclopropyl)-3,4-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(2-fluorocyclopropyl)-3,4-diphenyl-1,3-oxazolidin-2-one is O=C1OCC(c2ccccc2)(C2CC2F)N1c1ccccc1.
What is the InChIKey of 4-(2-fluorocyclopropyl)-3,4-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is XNAFQTSHSJJDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c19-16-11-15(16)18(13-7-3-1-4-8-13)12-22-17(21)20(18)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2.
What are the key properties of 4-(2-fluorocyclopropyl)-3,4-diphenyl-1,3-oxazolidin-2-one?
4-(2-fluorocyclopropyl)-3,4-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 297.33 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorocyclopropyl)-3,4-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 139631517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).