(3R)-3-(2-fluorophenyl)-4-oxo-4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]butanenitrile

C19H15FN2O3 — CID 11089040

IUPAC(3R)-3-(2-fluorophenyl)-4-oxo-4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]butanenitrile
SMILESN#CC[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)c1ccccc1F
InChIInChI=1S/C19H15FN2O3/c20-16-9-5-4-8-14(16)15(10-11-21)18(23)22-17(12-25-19(22)24)13-6-2-1-3-7-13/h1-9,15,17H,10,12H2/t15-,17+/m1/s1
InChIKeyJIXTVECBGLNWAH-WBVHZDCISA-N
MW338.34 g/mol
LogP3.54
Rot. Bonds4

About (3R)-3-(2-fluorophenyl)-4-oxo-4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]butanenitrile

(3R)-3-(2-fluorophenyl)-4-oxo-4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]butanenitrile (PubChem CID 11089040) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is (3R)-3-(2-fluorophenyl)-4-oxo-4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]butanenitrile.

Molecular Properties

Compound Name(3R)-3-(2-fluorophenyl)-4-oxo-4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]butanenitrile
PubChem CID11089040
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name(3R)-3-(2-fluorophenyl)-4-oxo-4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]butanenitrile
SMILESN#CC[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)c1ccccc1F
InChIInChI=1S/C19H15FN2O3/c20-16-9-5-4-8-14(16)15(10-11-21)18(23)22-17(12-25-19(22)24)13-6-2-1-3-7-13/h1-9,15,17H,10,12H2/t15-,17+/m1/s1
InChIKeyJIXTVECBGLNWAH-WBVHZDCISA-N
XLogP3.54
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-fluorophenyl)-4-oxo-4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]butanenitrile?
The IUPAC name of (3R)-3-(2-fluorophenyl)-4-oxo-4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]butanenitrile (CID 11089040) is (3R)-3-(2-fluorophenyl)-4-oxo-4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]butanenitrile.
What is the SMILES notation for (3R)-3-(2-fluorophenyl)-4-oxo-4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]butanenitrile?
The canonical SMILES for (3R)-3-(2-fluorophenyl)-4-oxo-4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]butanenitrile is N#CC[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)c1ccccc1F.
What is the InChIKey of (3R)-3-(2-fluorophenyl)-4-oxo-4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]butanenitrile?
The InChIKey is JIXTVECBGLNWAH-WBVHZDCISA-N. The full InChI is InChI=1S/C19H15FN2O3/c20-16-9-5-4-8-14(16)15(10-11-21)18(23)22-17(12-25-19(22)24)13-6-2-1-3-7-13/h1-9,15,17H,10,12H2/t15-,17+/m1/s1.
What are the key properties of (3R)-3-(2-fluorophenyl)-4-oxo-4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]butanenitrile?
(3R)-3-(2-fluorophenyl)-4-oxo-4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]butanenitrile has a molecular weight of 338.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-fluorophenyl)-4-oxo-4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]butanenitrile is sourced from PubChem (CID 11089040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).