6-(1,3-oxazol-2-yl)-4-phenyl-2-(propan-2-ylsulfinylmethylsulfanyl)pyridine-3-carbonitrile

C19H17N3O2S2 — CID 118059108

IUPAC6-(1,3-oxazol-2-yl)-4-phenyl-2-(propan-2-ylsulfinylmethylsulfanyl)pyridine-3-carbonitrile
SMILESCC(C)S(=O)CSc1nc(-c2ncco2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C19H17N3O2S2/c1-13(2)26(23)12-25-19-16(11-20)15(14-6-4-3-5-7-14)10-17(22-19)18-21-8-9-24-18/h3-10,13H,12H2,1-2H3
InChIKeyPUOACDQAYNCNAG-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.48
Rot. Bonds6

About 6-(1,3-oxazol-2-yl)-4-phenyl-2-(propan-2-ylsulfinylmethylsulfanyl)pyridine-3-carbonitrile

6-(1,3-oxazol-2-yl)-4-phenyl-2-(propan-2-ylsulfinylmethylsulfanyl)pyridine-3-carbonitrile (PubChem CID 118059108) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 6-(1,3-oxazol-2-yl)-4-phenyl-2-(propan-2-ylsulfinylmethylsulfanyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1,3-oxazol-2-yl)-4-phenyl-2-(propan-2-ylsulfinylmethylsulfanyl)pyridine-3-carbonitrile
PubChem CID118059108
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC Name6-(1,3-oxazol-2-yl)-4-phenyl-2-(propan-2-ylsulfinylmethylsulfanyl)pyridine-3-carbonitrile
SMILESCC(C)S(=O)CSc1nc(-c2ncco2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C19H17N3O2S2/c1-13(2)26(23)12-25-19-16(11-20)15(14-6-4-3-5-7-14)10-17(22-19)18-21-8-9-24-18/h3-10,13H,12H2,1-2H3
InChIKeyPUOACDQAYNCNAG-UHFFFAOYSA-N
XLogP4.48
TPSA79.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 16735550
CID 16735550
CID 16735551
CID 16735551
CID 16736012
CID 16736012
CID 16736629
CID 16736629
CID 16736630
CID 16736630
CID 16737011
CID 16737011
CID 16738134
CID 16738134
CID 76325440
CID 76325440
CID 76336259
CID 76336259
CID 76336262
CID 76336262
CID 118059100
CID 118059100
CID 76314535
CID 76314535

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-oxazol-2-yl)-4-phenyl-2-(propan-2-ylsulfinylmethylsulfanyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(1,3-oxazol-2-yl)-4-phenyl-2-(propan-2-ylsulfinylmethylsulfanyl)pyridine-3-carbonitrile (CID 118059108) is 6-(1,3-oxazol-2-yl)-4-phenyl-2-(propan-2-ylsulfinylmethylsulfanyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1,3-oxazol-2-yl)-4-phenyl-2-(propan-2-ylsulfinylmethylsulfanyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(1,3-oxazol-2-yl)-4-phenyl-2-(propan-2-ylsulfinylmethylsulfanyl)pyridine-3-carbonitrile is CC(C)S(=O)CSc1nc(-c2ncco2)cc(-c2ccccc2)c1C#N.
What is the InChIKey of 6-(1,3-oxazol-2-yl)-4-phenyl-2-(propan-2-ylsulfinylmethylsulfanyl)pyridine-3-carbonitrile?
The InChIKey is PUOACDQAYNCNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-13(2)26(23)12-25-19-16(11-20)15(14-6-4-3-5-7-14)10-17(22-19)18-21-8-9-24-18/h3-10,13H,12H2,1-2H3.
What are the key properties of 6-(1,3-oxazol-2-yl)-4-phenyl-2-(propan-2-ylsulfinylmethylsulfanyl)pyridine-3-carbonitrile?
6-(1,3-oxazol-2-yl)-4-phenyl-2-(propan-2-ylsulfinylmethylsulfanyl)pyridine-3-carbonitrile has a molecular weight of 383.50 g/mol, XLogP of 4.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-oxazol-2-yl)-4-phenyl-2-(propan-2-ylsulfinylmethylsulfanyl)pyridine-3-carbonitrile is sourced from PubChem (CID 118059108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).