4-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C14H15F3N2O2 — CID 115064326

IUPAC4-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCC(C2CCNC2)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)10-1-3-11(4-2-10)19-12(8-21-13(19)20)9-5-6-18-7-9/h1-4,9,12,18H,5-8H2
InChIKeyUSYLCBOWNHCYIM-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.64
Rot. Bonds2

About 4-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

4-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 115064326) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 4-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID115064326
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name4-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCC(C2CCNC2)N1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)10-1-3-11(4-2-10)19-12(8-21-13(19)20)9-5-6-18-7-9/h1-4,9,12,18H,5-8H2
InChIKeyUSYLCBOWNHCYIM-UHFFFAOYSA-N
XLogP2.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064330
3-(3-fluorophenyl)-4-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115064304
6-pyrrolidin-3-yl-4-[4-(trifluoromethyl)phenyl]morpholin-3-one
CID 115067951
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-[3-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridin-2-one
CID 115007188
(4S)-3-(4-chlorophenyl)-4-[(4S)-3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]-1,3-oxazolidin-2-one
CID 11429301
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225
5-pyrrolidin-3-yl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 115065111
5-tert-butyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 67953096
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 71742224
(3aR,7aS)-1-[4-(trifluoromethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 169122934

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 115064326) is 4-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is O=C1OCC(C2CCNC2)N1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is USYLCBOWNHCYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)10-1-3-11(4-2-10)19-12(8-21-13(19)20)9-5-6-18-7-9/h1-4,9,12,18H,5-8H2.
What are the key properties of 4-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
4-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 300.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-yl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).