(5-methyl-1,2-oxazol-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone

C13H18N2O2S — CID 90615841

IUPAC(5-methyl-1,2-oxazol-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCSC1CC2CCC(C1)N2C(=O)c1cc(C)on1
InChIInChI=1S/C13H18N2O2S/c1-8-5-12(14-17-8)13(16)15-9-3-4-10(15)7-11(6-9)18-2/h5,9-11H,3-4,6-7H2,1-2H3
InChIKeySJISLDGBHZWHOF-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.48
Rot. Bonds2

About (5-methyl-1,2-oxazol-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone

(5-methyl-1,2-oxazol-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 90615841) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID90615841
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCSC1CC2CCC(C1)N2C(=O)c1cc(C)on1
InChIInChI=1S/C13H18N2O2S/c1-8-5-12(14-17-8)13(16)15-9-3-4-10(15)7-11(6-9)18-2/h5,9-11H,3-4,6-7H2,1-2H3
InChIKeySJISLDGBHZWHOF-UHFFFAOYSA-N
XLogP2.48
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 90615841) is (5-methyl-1,2-oxazol-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone is CSC1CC2CCC(C1)N2C(=O)c1cc(C)on1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is SJISLDGBHZWHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-8-5-12(14-17-8)13(16)15-9-3-4-10(15)7-11(6-9)18-2/h5,9-11H,3-4,6-7H2,1-2H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(5-methyl-1,2-oxazol-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 266.37 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 90615841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).