3-(4-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one

C13H15FN2O2 — CID 115064330

IUPAC3-(4-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
SMILESO=C1OCC(C2CCNC2)N1c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O2/c14-10-1-3-11(4-2-10)16-12(8-18-13(16)17)9-5-6-15-7-9/h1-4,9,12,15H,5-8H2
InChIKeyZKTCKIBXOUXFAT-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.76
Rot. Bonds2

About 3-(4-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one

3-(4-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one (PubChem CID 115064330) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
PubChem CID115064330
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name3-(4-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
SMILESO=C1OCC(C2CCNC2)N1c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O2/c14-10-1-3-11(4-2-10)16-12(8-18-13(16)17)9-5-6-15-7-9/h1-4,9,12,15H,5-8H2
InChIKeyZKTCKIBXOUXFAT-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 115064326
3-(3-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064304
3-(3-chlorophenyl)-4-piperidin-4-yl-1,3-oxazolidin-2-one
CID 115064126
3-benzyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064356
3-(4-fluorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064333
3-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011455
3-ethyl-4-piperidin-4-yl-1,3-oxazolidin-2-one
CID 115064155
1-(3-fluorophenyl)-4-pyrrolidin-3-ylpiperidine
CID 117022829
(4aS,8aR)-1,4,4a,5,6,7,8,8a-octahydropyrano[4,3-c]pyridin-3-one
CID 165083138
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,4-difluorophenyl)methanone
CID 43594616
(2,4-difluorophenyl)-(2-piperidin-3-ylpyrrolidin-1-yl)methanone
CID 60978149
(4S)-4-(3,5-difluorophenyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 143702787

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one (CID 115064330) is 3-(4-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one is O=C1OCC(C2CCNC2)N1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
The InChIKey is ZKTCKIBXOUXFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-10-1-3-11(4-2-10)16-12(8-18-13(16)17)9-5-6-15-7-9/h1-4,9,12,15H,5-8H2.
What are the key properties of 3-(4-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
3-(4-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one has a molecular weight of 250.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).