4-[4-cyano-5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide

C18H22N4O4S — CID 51858669

IUPAC4-[4-cyano-5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide
SMILESC[C@H]1CN(c2oc(-c3ccc(S(=O)(=O)N(C)C)cc3)nc2C#N)C[C@H](C)O1
InChIInChI=1S/C18H22N4O4S/c1-12-10-22(11-13(2)25-12)18-16(9-19)20-17(26-18)14-5-7-15(8-6-14)27(23,24)21(3)4/h5-8,12-13H,10-11H2,1-4H3/t12-,13-/m0/s1
InChIKeyVBGYBFNDOOIDHJ-STQMWFEESA-N
MW390.47 g/mol
LogP2.08
Rot. Bonds4

About 4-[4-cyano-5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide

4-[4-cyano-5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 51858669) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-[4-cyano-5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-cyano-5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID51858669
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name4-[4-cyano-5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide
SMILESC[C@H]1CN(c2oc(-c3ccc(S(=O)(=O)N(C)C)cc3)nc2C#N)C[C@H](C)O1
InChIInChI=1S/C18H22N4O4S/c1-12-10-22(11-13(2)25-12)18-16(9-19)20-17(26-18)14-5-7-15(8-6-14)27(23,24)21(3)4/h5-8,12-13H,10-11H2,1-4H3/t12-,13-/m0/s1
InChIKeyVBGYBFNDOOIDHJ-STQMWFEESA-N
XLogP2.08
TPSA99.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-cyano-5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyano-5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[4-cyano-5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide (CID 51858669) is 4-[4-cyano-5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[4-cyano-5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[4-cyano-5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide is C[C@H]1CN(c2oc(-c3ccc(S(=O)(=O)N(C)C)cc3)nc2C#N)C[C@H](C)O1.
What is the InChIKey of 4-[4-cyano-5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is VBGYBFNDOOIDHJ-STQMWFEESA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-12-10-22(11-13(2)25-12)18-16(9-19)20-17(26-18)14-5-7-15(8-6-14)27(23,24)21(3)4/h5-8,12-13H,10-11H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of 4-[4-cyano-5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide?
4-[4-cyano-5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 390.47 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyano-5-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-2-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 51858669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).