4-[2-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]-3-fluorobenzonitrile

C15H12FN3O2S — CID 25029878

IUPAC4-[2-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]-3-fluorobenzonitrile
SMILESCC1(C)COC(=O)N1c1nc(-c2ccc(C#N)cc2F)cs1
InChIInChI=1S/C15H12FN3O2S/c1-15(2)8-21-14(20)19(15)13-18-12(7-22-13)10-4-3-9(6-17)5-11(10)16/h3-5,7H,8H2,1-2H3
InChIKeyWRIQNNUIOFCQIC-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.56
Rot. Bonds2

About 4-[2-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]-3-fluorobenzonitrile

4-[2-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]-3-fluorobenzonitrile (PubChem CID 25029878) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[2-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[2-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]-3-fluorobenzonitrile
PubChem CID25029878
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name4-[2-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]-3-fluorobenzonitrile
SMILESCC1(C)COC(=O)N1c1nc(-c2ccc(C#N)cc2F)cs1
InChIInChI=1S/C15H12FN3O2S/c1-15(2)8-21-14(20)19(15)13-18-12(7-22-13)10-4-3-9(6-17)5-11(10)16/h3-5,7H,8H2,1-2H3
InChIKeyWRIQNNUIOFCQIC-UHFFFAOYSA-N
XLogP3.56
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
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-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]-3-fluorobenzonitrile?
The IUPAC name of 4-[2-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]-3-fluorobenzonitrile (CID 25029878) is 4-[2-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[2-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]-3-fluorobenzonitrile?
The canonical SMILES for 4-[2-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]-3-fluorobenzonitrile is CC1(C)COC(=O)N1c1nc(-c2ccc(C#N)cc2F)cs1.
What is the InChIKey of 4-[2-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]-3-fluorobenzonitrile?
The InChIKey is WRIQNNUIOFCQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c1-15(2)8-21-14(20)19(15)13-18-12(7-22-13)10-4-3-9(6-17)5-11(10)16/h3-5,7H,8H2,1-2H3.
What are the key properties of 4-[2-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]-3-fluorobenzonitrile?
4-[2-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]-3-fluorobenzonitrile has a molecular weight of 317.35 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1,3-thiazol-4-yl]-3-fluorobenzonitrile is sourced from PubChem (CID 25029878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).