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

C19H21F4N3O4 — CID 175975345

IUPAC3-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
SMILESO=C(N1CC(OCc2ccc(C(F)(F)F)cc2F)C1)N1CCC(N2CCOC2=O)C1
InChIInChI=1S/C19H21F4N3O4/c20-16-7-13(19(21,22)23)2-1-12(16)11-30-15-9-25(10-15)17(27)24-4-3-14(8-24)26-5-6-29-18(26)28/h1-2,7,14-15H,3-6,8-11H2
InChIKeyFDDKLXOOAWQHTB-UHFFFAOYSA-N
MW431.39 g/mol
LogP2.69
Rot. Bonds4

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

3-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one (PubChem CID 175975345) has the molecular formula C19H21F4N3O4 and a molecular weight of 431.39 g/mol. Its IUPAC name is 3-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
PubChem CID175975345
Molecular FormulaC19H21F4N3O4
Molecular Weight431.39 g/mol
Exact Mass431.15
IUPAC Name3-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
SMILESO=C(N1CC(OCc2ccc(C(F)(F)F)cc2F)C1)N1CCC(N2CCOC2=O)C1
InChIInChI=1S/C19H21F4N3O4/c20-16-7-13(19(21,22)23)2-1-12(16)11-30-15-9-25(10-15)17(27)24-4-3-14(8-24)26-5-6-29-18(26)28/h1-2,7,14-15H,3-6,8-11H2
InChIKeyFDDKLXOOAWQHTB-UHFFFAOYSA-N
XLogP2.69
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone
CID 159059374
[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 170636429
(4aS,8aR)-6-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one;molecular hydrogen
CID 153403725
(4aS,8aR)-6-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]-1,2,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-3-one
CID 159134345
N-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]azetidin-3-yl]acetamide
CID 175974890
3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxylic acid
CID 131964994
tert-butyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]pyrrolidine-1-carboxylate;ethane
CID 166100948
[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxylate
CID 162746069
(4aR,8aS)-6-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 146386924
(4S)-4-[3-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]-3-oxopropyl]oxolan-2-one
CID 165010120
(4aR,8aS)-6-[3-[[2-chloro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridin-3-one
CID 160599739
5-[3-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]-3-oxopropyl]morpholin-3-one
CID 162745766

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one (CID 175975345) is 3-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one is O=C(N1CC(OCc2ccc(C(F)(F)F)cc2F)C1)N1CCC(N2CCOC2=O)C1.
What is the InChIKey of 3-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is FDDKLXOOAWQHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F4N3O4/c20-16-7-13(19(21,22)23)2-1-12(16)11-30-15-9-25(10-15)17(27)24-4-3-14(8-24)26-5-6-29-18(26)28/h1-2,7,14-15H,3-6,8-11H2.
What are the key properties of 3-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
3-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 431.39 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 175975345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).