(4R)-4-[3-[3-[3-fluoro-4-[3-(trifluoromethyl)azetidin-1-yl]phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one

C19H21F4N3O3 — CID 162746007

IUPAC(4R)-4-[3-[3-[3-fluoro-4-[3-(trifluoromethyl)azetidin-1-yl]phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](CCC(=O)N2CC(c3ccc(N4CC(C(F)(F)F)C4)c(F)c3)C2)CO1
InChIInChI=1S/C19H21F4N3O3/c20-15-5-11(1-3-16(15)25-8-13(9-25)19(21,22)23)12-6-26(7-12)17(27)4-2-14-10-29-18(28)24-14/h1,3,5,12-14H,2,4,6-10H2,(H,24,28)/t14-/m1/s1
InChIKeyXKIQSISDESTMIQ-CQSZACIVSA-N
MW415.39 g/mol
LogP2.64
Rot. Bonds5

About (4R)-4-[3-[3-[3-fluoro-4-[3-(trifluoromethyl)azetidin-1-yl]phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one

(4R)-4-[3-[3-[3-fluoro-4-[3-(trifluoromethyl)azetidin-1-yl]phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one (PubChem CID 162746007) has the molecular formula C19H21F4N3O3 and a molecular weight of 415.39 g/mol. Its IUPAC name is (4R)-4-[3-[3-[3-fluoro-4-[3-(trifluoromethyl)azetidin-1-yl]phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[3-[3-[3-fluoro-4-[3-(trifluoromethyl)azetidin-1-yl]phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
PubChem CID162746007
Molecular FormulaC19H21F4N3O3
Molecular Weight415.39 g/mol
Exact Mass415.15
IUPAC Name(4R)-4-[3-[3-[3-fluoro-4-[3-(trifluoromethyl)azetidin-1-yl]phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](CCC(=O)N2CC(c3ccc(N4CC(C(F)(F)F)C4)c(F)c3)C2)CO1
InChIInChI=1S/C19H21F4N3O3/c20-15-5-11(1-3-16(15)25-8-13(9-25)19(21,22)23)12-6-26(7-12)17(27)4-2-14-10-29-18(28)24-14/h1,3,5,12-14H,2,4,6-10H2,(H,24,28)/t14-/m1/s1
InChIKeyXKIQSISDESTMIQ-CQSZACIVSA-N
XLogP2.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-[3-[3-fluoro-4-[3-(trifluoromethyl)azetidin-1-yl]phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[3-[3-[3-fluoro-4-[3-(trifluoromethyl)azetidin-1-yl]phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one (CID 162746007) is (4R)-4-[3-[3-[3-fluoro-4-[3-(trifluoromethyl)azetidin-1-yl]phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[3-[3-[3-fluoro-4-[3-(trifluoromethyl)azetidin-1-yl]phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[3-[3-[3-fluoro-4-[3-(trifluoromethyl)azetidin-1-yl]phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one is O=C1N[C@H](CCC(=O)N2CC(c3ccc(N4CC(C(F)(F)F)C4)c(F)c3)C2)CO1.
What is the InChIKey of (4R)-4-[3-[3-[3-fluoro-4-[3-(trifluoromethyl)azetidin-1-yl]phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one?
The InChIKey is XKIQSISDESTMIQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21F4N3O3/c20-15-5-11(1-3-16(15)25-8-13(9-25)19(21,22)23)12-6-26(7-12)17(27)4-2-14-10-29-18(28)24-14/h1,3,5,12-14H,2,4,6-10H2,(H,24,28)/t14-/m1/s1.
What are the key properties of (4R)-4-[3-[3-[3-fluoro-4-[3-(trifluoromethyl)azetidin-1-yl]phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one?
(4R)-4-[3-[3-[3-fluoro-4-[3-(trifluoromethyl)azetidin-1-yl]phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one has a molecular weight of 415.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-[3-[3-fluoro-4-[3-(trifluoromethyl)azetidin-1-yl]phenyl]azetidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 162746007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).