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

C14H17FN2O2 — CID 115064333

IUPAC3-(4-fluorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
SMILESCC1(C2CCNC2)COC(=O)N1c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O2/c1-14(10-6-7-16-8-10)9-19-13(18)17(14)12-4-2-11(15)3-5-12/h2-5,10,16H,6-9H2,1H3
InChIKeyTVORSYDIGXQDNO-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.15
Rot. Bonds2

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

3-(4-fluorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one (PubChem CID 115064333) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
PubChem CID115064333
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name3-(4-fluorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
SMILESCC1(C2CCNC2)COC(=O)N1c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O2/c1-14(10-6-7-16-8-10)9-19-13(18)17(14)12-4-2-11(15)3-5-12/h2-5,10,16H,6-9H2,1H3
InChIKeyTVORSYDIGXQDNO-UHFFFAOYSA-N
XLogP2.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064312
4-methyl-3-(2-methylphenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064316
3-(2-chlorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064321
3-[(4-fluorophenyl)methyl]-4-methyl-4-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115064284
3-[(2-methoxyphenyl)methyl]-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064378
3-(4-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064330
3-(7-fluoro-3-methyl-1,5-dihydro-2,4-benzodioxepin-3-yl)pyrrolidine
CID 115062957
3-ethyl-5-methyl-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115065098
4-[(3-fluorophenyl)methyl]-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one
CID 115067984
3-(4-methyl-2,6,7-trioxabicyclo[2.2.1]heptan-1-yl)pyrrolidine
CID 115010708
4-(4-fluorophenyl)-3,3-dimethylpiperidine;pentakis(yttrium)
CID 159623116
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-pyrrolidin-3-ylpropanamide
CID 119453015

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-fluorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one (CID 115064333) is 3-(4-fluorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one is CC1(C2CCNC2)COC(=O)N1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
The InChIKey is TVORSYDIGXQDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-14(10-6-7-16-8-10)9-19-13(18)17(14)12-4-2-11(15)3-5-12/h2-5,10,16H,6-9H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
3-(4-fluorophenyl)-4-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one has a molecular weight of 264.30 g/mol, XLogP of 2.15, 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-methyl-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).