4-[2-[(4S)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-5-fluoro-1,3-thiazol-4-yl]benzonitrile

C15H12FN3O2S — CID 69065544

IUPAC4-[2-[(4S)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-5-fluoro-1,3-thiazol-4-yl]benzonitrile
SMILESCC[C@H]1COC(=O)N1c1nc(-c2ccc(C#N)cc2)c(F)s1
InChIInChI=1S/C15H12FN3O2S/c1-2-11-8-21-15(20)19(11)14-18-12(13(16)22-14)10-5-3-9(7-17)4-6-10/h3-6,11H,2,8H2,1H3/t11-/m0/s1
InChIKeyLRLAUDCALJGLAO-NSHDSACASA-N
MW317.35 g/mol
LogP3.56
Rot. Bonds3

About 4-[2-[(4S)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-5-fluoro-1,3-thiazol-4-yl]benzonitrile

4-[2-[(4S)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-5-fluoro-1,3-thiazol-4-yl]benzonitrile (PubChem CID 69065544) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[2-[(4S)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-5-fluoro-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-[(4S)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-5-fluoro-1,3-thiazol-4-yl]benzonitrile
PubChem CID69065544
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name4-[2-[(4S)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-5-fluoro-1,3-thiazol-4-yl]benzonitrile
SMILESCC[C@H]1COC(=O)N1c1nc(-c2ccc(C#N)cc2)c(F)s1
InChIInChI=1S/C15H12FN3O2S/c1-2-11-8-21-15(20)19(11)14-18-12(13(16)22-14)10-5-3-9(7-17)4-6-10/h3-6,11H,2,8H2,1H3/t11-/m0/s1
InChIKeyLRLAUDCALJGLAO-NSHDSACASA-N
XLogP3.56
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4S)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-5-fluoro-1,3-thiazol-4-yl]benzonitrile?
The IUPAC name of 4-[2-[(4S)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-5-fluoro-1,3-thiazol-4-yl]benzonitrile (CID 69065544) is 4-[2-[(4S)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-5-fluoro-1,3-thiazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[2-[(4S)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-5-fluoro-1,3-thiazol-4-yl]benzonitrile?
The canonical SMILES for 4-[2-[(4S)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-5-fluoro-1,3-thiazol-4-yl]benzonitrile is CC[C@H]1COC(=O)N1c1nc(-c2ccc(C#N)cc2)c(F)s1.
What is the InChIKey of 4-[2-[(4S)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-5-fluoro-1,3-thiazol-4-yl]benzonitrile?
The InChIKey is LRLAUDCALJGLAO-NSHDSACASA-N. The full InChI is InChI=1S/C15H12FN3O2S/c1-2-11-8-21-15(20)19(11)14-18-12(13(16)22-14)10-5-3-9(7-17)4-6-10/h3-6,11H,2,8H2,1H3/t11-/m0/s1.
What are the key properties of 4-[2-[(4S)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-5-fluoro-1,3-thiazol-4-yl]benzonitrile?
4-[2-[(4S)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-5-fluoro-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 317.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4S)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-5-fluoro-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 69065544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).