2-(1-methylpyrrolidin-3-yl)sulfanyl-1,3-oxazole

C8H12N2OS — CID 18723024

IUPAC2-(1-methylpyrrolidin-3-yl)sulfanyl-1,3-oxazole
SMILESCN1CCC(Sc2ncco2)C1
InChIInChI=1S/C8H12N2OS/c1-10-4-2-7(6-10)12-8-9-3-5-11-8/h3,5,7H,2,4,6H2,1H3
InChIKeyAZHOOYADRAVFDL-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.47
Rot. Bonds2

About 2-(1-methylpyrrolidin-3-yl)sulfanyl-1,3-oxazole

2-(1-methylpyrrolidin-3-yl)sulfanyl-1,3-oxazole (PubChem CID 18723024) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-3-yl)sulfanyl-1,3-oxazole.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-3-yl)sulfanyl-1,3-oxazole
PubChem CID18723024
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-(1-methylpyrrolidin-3-yl)sulfanyl-1,3-oxazole
SMILESCN1CCC(Sc2ncco2)C1
InChIInChI=1S/C8H12N2OS/c1-10-4-2-7(6-10)12-8-9-3-5-11-8/h3,5,7H,2,4,6H2,1H3
InChIKeyAZHOOYADRAVFDL-UHFFFAOYSA-N
XLogP1.47
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-3-yl)sulfanyl-1,3-oxazole?
The IUPAC name of 2-(1-methylpyrrolidin-3-yl)sulfanyl-1,3-oxazole (CID 18723024) is 2-(1-methylpyrrolidin-3-yl)sulfanyl-1,3-oxazole.
What is the SMILES notation for 2-(1-methylpyrrolidin-3-yl)sulfanyl-1,3-oxazole?
The canonical SMILES for 2-(1-methylpyrrolidin-3-yl)sulfanyl-1,3-oxazole is CN1CCC(Sc2ncco2)C1.
What is the InChIKey of 2-(1-methylpyrrolidin-3-yl)sulfanyl-1,3-oxazole?
The InChIKey is AZHOOYADRAVFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-10-4-2-7(6-10)12-8-9-3-5-11-8/h3,5,7H,2,4,6H2,1H3.
What are the key properties of 2-(1-methylpyrrolidin-3-yl)sulfanyl-1,3-oxazole?
2-(1-methylpyrrolidin-3-yl)sulfanyl-1,3-oxazole has a molecular weight of 184.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-3-yl)sulfanyl-1,3-oxazole is sourced from PubChem (CID 18723024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).