2-pyrrolidin-3-ylsulfanyl-1,3-oxazole

C7H10N2OS — CID 84653829

IUPAC2-pyrrolidin-3-ylsulfanyl-1,3-oxazole
SMILESc1coc(SC2CCNC2)n1
InChIInChI=1S/C7H10N2OS/c1-2-8-5-6(1)11-7-9-3-4-10-7/h3-4,6,8H,1-2,5H2
InChIKeyGNORATBANGCETR-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.13
Rot. Bonds2

About 2-pyrrolidin-3-ylsulfanyl-1,3-oxazole

2-pyrrolidin-3-ylsulfanyl-1,3-oxazole (PubChem CID 84653829) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-pyrrolidin-3-ylsulfanyl-1,3-oxazole.

Molecular Properties

Compound Name2-pyrrolidin-3-ylsulfanyl-1,3-oxazole
PubChem CID84653829
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name2-pyrrolidin-3-ylsulfanyl-1,3-oxazole
SMILESc1coc(SC2CCNC2)n1
InChIInChI=1S/C7H10N2OS/c1-2-8-5-6(1)11-7-9-3-4-10-7/h3-4,6,8H,1-2,5H2
InChIKeyGNORATBANGCETR-UHFFFAOYSA-N
XLogP1.13
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-ylsulfanyl-1,3-oxazole?
The IUPAC name of 2-pyrrolidin-3-ylsulfanyl-1,3-oxazole (CID 84653829) is 2-pyrrolidin-3-ylsulfanyl-1,3-oxazole.
What is the SMILES notation for 2-pyrrolidin-3-ylsulfanyl-1,3-oxazole?
The canonical SMILES for 2-pyrrolidin-3-ylsulfanyl-1,3-oxazole is c1coc(SC2CCNC2)n1.
What is the InChIKey of 2-pyrrolidin-3-ylsulfanyl-1,3-oxazole?
The InChIKey is GNORATBANGCETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-2-8-5-6(1)11-7-9-3-4-10-7/h3-4,6,8H,1-2,5H2.
What are the key properties of 2-pyrrolidin-3-ylsulfanyl-1,3-oxazole?
2-pyrrolidin-3-ylsulfanyl-1,3-oxazole has a molecular weight of 170.24 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-ylsulfanyl-1,3-oxazole is sourced from PubChem (CID 84653829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).