2-(piperidin-2-ylmethylsulfanyl)-1,3-oxazole

C9H14N2OS — CID 84668397

IUPAC2-(piperidin-2-ylmethylsulfanyl)-1,3-oxazole
SMILESc1coc(SCC2CCCCN2)n1
InChIInChI=1S/C9H14N2OS/c1-2-4-10-8(3-1)7-13-9-11-5-6-12-9/h5-6,8,10H,1-4,7H2
InChIKeyJYGOUJDBMFCSSL-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.91
Rot. Bonds3

About 2-(piperidin-2-ylmethylsulfanyl)-1,3-oxazole

2-(piperidin-2-ylmethylsulfanyl)-1,3-oxazole (PubChem CID 84668397) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(piperidin-2-ylmethylsulfanyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(piperidin-2-ylmethylsulfanyl)-1,3-oxazole
PubChem CID84668397
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-(piperidin-2-ylmethylsulfanyl)-1,3-oxazole
SMILESc1coc(SCC2CCCCN2)n1
InChIInChI=1S/C9H14N2OS/c1-2-4-10-8(3-1)7-13-9-11-5-6-12-9/h5-6,8,10H,1-4,7H2
InChIKeyJYGOUJDBMFCSSL-UHFFFAOYSA-N
XLogP1.91
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-2-ylmethylsulfanyl)-1,3-oxazole?
The IUPAC name of 2-(piperidin-2-ylmethylsulfanyl)-1,3-oxazole (CID 84668397) is 2-(piperidin-2-ylmethylsulfanyl)-1,3-oxazole.
What is the SMILES notation for 2-(piperidin-2-ylmethylsulfanyl)-1,3-oxazole?
The canonical SMILES for 2-(piperidin-2-ylmethylsulfanyl)-1,3-oxazole is c1coc(SCC2CCCCN2)n1.
What is the InChIKey of 2-(piperidin-2-ylmethylsulfanyl)-1,3-oxazole?
The InChIKey is JYGOUJDBMFCSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-4-10-8(3-1)7-13-9-11-5-6-12-9/h5-6,8,10H,1-4,7H2.
What are the key properties of 2-(piperidin-2-ylmethylsulfanyl)-1,3-oxazole?
2-(piperidin-2-ylmethylsulfanyl)-1,3-oxazole has a molecular weight of 198.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-2-ylmethylsulfanyl)-1,3-oxazole is sourced from PubChem (CID 84668397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).