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

C8H12N2OS — CID 84659687

IUPAC2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-oxazole
SMILESc1coc(SCC2CCCN2)n1
InChIInChI=1S/C8H12N2OS/c1-2-7(9-3-1)6-12-8-10-4-5-11-8/h4-5,7,9H,1-3,6H2
InChIKeyCVSYNPRCRGWPPZ-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.52
Rot. Bonds3

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

2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-oxazole (PubChem CID 84659687) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-oxazole
PubChem CID84659687
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-oxazole
SMILESc1coc(SCC2CCCN2)n1
InChIInChI=1S/C8H12N2OS/c1-2-7(9-3-1)6-12-8-10-4-5-11-8/h4-5,7,9H,1-3,6H2
InChIKeyCVSYNPRCRGWPPZ-UHFFFAOYSA-N
XLogP1.52
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-oxazole?
The IUPAC name of 2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-oxazole (CID 84659687) is 2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-oxazole.
What is the SMILES notation for 2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-oxazole?
The canonical SMILES for 2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-oxazole is c1coc(SCC2CCCN2)n1.
What is the InChIKey of 2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-oxazole?
The InChIKey is CVSYNPRCRGWPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-2-7(9-3-1)6-12-8-10-4-5-11-8/h4-5,7,9H,1-3,6H2.
What are the key properties of 2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-oxazole?
2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-oxazole has a molecular weight of 184.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-oxazole is sourced from PubChem (CID 84659687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).