2-(pyrrolidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-oxazole

C8H14N2OS — CID 84660662

IUPAC2-(pyrrolidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-oxazole
SMILESC1CNC(CSC2=NCCO2)C1
InChIInChI=1S/C8H14N2OS/c1-2-7(9-3-1)6-12-8-10-4-5-11-8/h7,9H,1-6H2
InChIKeyRUPJGIMIRPTDRQ-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.86
Rot. Bonds2

About 2-(pyrrolidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-oxazole

2-(pyrrolidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-oxazole (PubChem CID 84660662) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-(pyrrolidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(pyrrolidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-oxazole
PubChem CID84660662
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name2-(pyrrolidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-oxazole
SMILESC1CNC(CSC2=NCCO2)C1
InChIInChI=1S/C8H14N2OS/c1-2-7(9-3-1)6-12-8-10-4-5-11-8/h7,9H,1-6H2
InChIKeyRUPJGIMIRPTDRQ-UHFFFAOYSA-N
XLogP0.86
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole
CID 106924606
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)piperidine
CID 115480065
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1H-imidazole
CID 107781577
(2R)-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyrrolidine
CID 107781606
4-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 102820373
4-chloro-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyrimidine
CID 97164036
3,4-dimethyl-5-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]-1,2,4-triazole
CID 102820369
2-[(4-methylphenyl)sulfanylmethyl]pyrrolidine;hydrochloride
CID 72716499
5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine
CID 71638847
2-bromo-6-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine
CID 97178233
2-(pyrrolidin-2-ylmethylsulfanyl)pyridine-3-carbonitrile
CID 71643645
4-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)-1,3-thiazole;hydrochloride
CID 72716508

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(pyrrolidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-oxazole (CID 84660662) is 2-(pyrrolidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(pyrrolidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(pyrrolidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-oxazole is C1CNC(CSC2=NCCO2)C1.
What is the InChIKey of 2-(pyrrolidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is RUPJGIMIRPTDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-2-7(9-3-1)6-12-8-10-4-5-11-8/h7,9H,1-6H2.
What are the key properties of 2-(pyrrolidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-oxazole?
2-(pyrrolidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 186.28 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 84660662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).