5-tert-butyl-2-quinoxalin-2-ylsulfanyl-1,3-oxazole

C15H15N3OS — CID 91644644

IUPAC5-tert-butyl-2-quinoxalin-2-ylsulfanyl-1,3-oxazole
SMILESCC(C)(C)c1cnc(Sc2cnc3ccccc3n2)o1
InChIInChI=1S/C15H15N3OS/c1-15(2,3)12-8-17-14(19-12)20-13-9-16-10-6-4-5-7-11(10)18-13/h4-9H,1-3H3
InChIKeyXFYRKRUJZGTAHZ-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.07
Rot. Bonds2

About 5-tert-butyl-2-quinoxalin-2-ylsulfanyl-1,3-oxazole

5-tert-butyl-2-quinoxalin-2-ylsulfanyl-1,3-oxazole (PubChem CID 91644644) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-tert-butyl-2-quinoxalin-2-ylsulfanyl-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-quinoxalin-2-ylsulfanyl-1,3-oxazole
PubChem CID91644644
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name5-tert-butyl-2-quinoxalin-2-ylsulfanyl-1,3-oxazole
SMILESCC(C)(C)c1cnc(Sc2cnc3ccccc3n2)o1
InChIInChI=1S/C15H15N3OS/c1-15(2,3)12-8-17-14(19-12)20-13-9-16-10-6-4-5-7-11(10)18-13/h4-9H,1-3H3
InChIKeyXFYRKRUJZGTAHZ-UHFFFAOYSA-N
XLogP4.07
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-quinoxalin-2-ylsulfanyl-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-quinoxalin-2-ylsulfanyl-1,3-oxazole (CID 91644644) is 5-tert-butyl-2-quinoxalin-2-ylsulfanyl-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-quinoxalin-2-ylsulfanyl-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-quinoxalin-2-ylsulfanyl-1,3-oxazole is CC(C)(C)c1cnc(Sc2cnc3ccccc3n2)o1.
What is the InChIKey of 5-tert-butyl-2-quinoxalin-2-ylsulfanyl-1,3-oxazole?
The InChIKey is XFYRKRUJZGTAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-15(2,3)12-8-17-14(19-12)20-13-9-16-10-6-4-5-7-11(10)18-13/h4-9H,1-3H3.
What are the key properties of 5-tert-butyl-2-quinoxalin-2-ylsulfanyl-1,3-oxazole?
5-tert-butyl-2-quinoxalin-2-ylsulfanyl-1,3-oxazole has a molecular weight of 285.37 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-quinoxalin-2-ylsulfanyl-1,3-oxazole is sourced from PubChem (CID 91644644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).