3-methylsulfanyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole

C7H9NOS — CID 83871887

IUPAC3-methylsulfanyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole
SMILESCSc1onc2c1CCC2
InChIInChI=1S/C7H9NOS/c1-10-7-5-3-2-4-6(5)8-9-7/h2-4H2,1H3
InChIKeySJSCNEGYPUJJHF-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.89
Rot. Bonds1

About 3-methylsulfanyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole

3-methylsulfanyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole (PubChem CID 83871887) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 3-methylsulfanyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole.

Molecular Properties

Compound Name3-methylsulfanyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole
PubChem CID83871887
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name3-methylsulfanyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole
SMILESCSc1onc2c1CCC2
InChIInChI=1S/C7H9NOS/c1-10-7-5-3-2-4-6(5)8-9-7/h2-4H2,1H3
InChIKeySJSCNEGYPUJJHF-UHFFFAOYSA-N
XLogP1.89
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole?
The IUPAC name of 3-methylsulfanyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole (CID 83871887) is 3-methylsulfanyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole.
What is the SMILES notation for 3-methylsulfanyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole?
The canonical SMILES for 3-methylsulfanyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole is CSc1onc2c1CCC2.
What is the InChIKey of 3-methylsulfanyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole?
The InChIKey is SJSCNEGYPUJJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-10-7-5-3-2-4-6(5)8-9-7/h2-4H2,1H3.
What are the key properties of 3-methylsulfanyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole?
3-methylsulfanyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole has a molecular weight of 155.22 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole is sourced from PubChem (CID 83871887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).