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(4S)-4-[3-oxo-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one

C19H21F3N2O3 — CID 162745538

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(4S)-4-[3-oxo-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](CCC(=O)N2CC(c3ccc(C4(C(F)(F)F)CC4)cc3)C2)CO1
InChIInChI=1S/C19H21F3N2O3/c20-19(21,22)18(7-8-18)14-3-1-12(2-4-14)13-9-24(10-13)16(25)6-5-15-11-27-17(26)23-15/h1-4,13,15H,5-11H2,(H,23,26)/t15-/m0/s1
InChIKeyBORWZQLFHTXWCT-HNNXBMFYSA-N
MW382.38 g/mol
LogP3.09
Rot. Bonds5

About (4S)-4-[3-oxo-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one

(4S)-4-[3-oxo-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one (PubChem CID 162745538) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is (4S)-4-[3-oxo-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[3-oxo-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one
PubChem CID162745538
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name(4S)-4-[3-oxo-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](CCC(=O)N2CC(c3ccc(C4(C(F)(F)F)CC4)cc3)C2)CO1
InChIInChI=1S/C19H21F3N2O3/c20-19(21,22)18(7-8-18)14-3-1-12(2-4-14)13-9-24(10-13)16(25)6-5-15-11-27-17(26)23-15/h1-4,13,15H,5-11H2,(H,23,26)/t15-/m0/s1
InChIKeyBORWZQLFHTXWCT-HNNXBMFYSA-N
XLogP3.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-oxo-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[3-oxo-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one (CID 162745538) is (4S)-4-[3-oxo-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[3-oxo-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[3-oxo-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one is O=C1N[C@@H](CCC(=O)N2CC(c3ccc(C4(C(F)(F)F)CC4)cc3)C2)CO1.
What is the InChIKey of (4S)-4-[3-oxo-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one?
The InChIKey is BORWZQLFHTXWCT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c20-19(21,22)18(7-8-18)14-3-1-12(2-4-14)13-9-24(10-13)16(25)6-5-15-11-27-17(26)23-15/h1-4,13,15H,5-11H2,(H,23,26)/t15-/m0/s1.
What are the key properties of (4S)-4-[3-oxo-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one?
(4S)-4-[3-oxo-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one has a molecular weight of 382.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3-oxo-3-[3-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]azetidin-1-yl]propyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 162745538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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