4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)thiolan-3-one

C10H12N2O2S — CID 83201031

IUPAC4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)thiolan-3-one
SMILESO=C1CSCC1c1nc(C2CCC2)no1
InChIInChI=1S/C10H12N2O2S/c13-8-5-15-4-7(8)10-11-9(12-14-10)6-2-1-3-6/h6-7H,1-5H2
InChIKeyHXRILECGHYQRKN-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.74
Rot. Bonds2

About 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)thiolan-3-one

4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)thiolan-3-one (PubChem CID 83201031) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)thiolan-3-one.

Molecular Properties

Compound Name4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)thiolan-3-one
PubChem CID83201031
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)thiolan-3-one
SMILESO=C1CSCC1c1nc(C2CCC2)no1
InChIInChI=1S/C10H12N2O2S/c13-8-5-15-4-7(8)10-11-9(12-14-10)6-2-1-3-6/h6-7H,1-5H2
InChIKeyHXRILECGHYQRKN-UHFFFAOYSA-N
XLogP1.74
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiolan-3-one
CID 83201118
4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-one
CID 107924444
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thiolan-3-one
CID 83201200
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxan-4-one
CID 106473905
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiolan-3-one
CID 83200939
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-one
CID 83201117
4-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-one
CID 83200950
5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 128922331
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-one
CID 83201600
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-one
CID 83200944
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 83200734
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 65390691

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)thiolan-3-one?
The IUPAC name of 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)thiolan-3-one (CID 83201031) is 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)thiolan-3-one.
What is the SMILES notation for 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)thiolan-3-one?
The canonical SMILES for 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)thiolan-3-one is O=C1CSCC1c1nc(C2CCC2)no1.
What is the InChIKey of 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)thiolan-3-one?
The InChIKey is HXRILECGHYQRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c13-8-5-15-4-7(8)10-11-9(12-14-10)6-2-1-3-6/h6-7H,1-5H2.
What are the key properties of 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)thiolan-3-one?
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)thiolan-3-one has a molecular weight of 224.28 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)thiolan-3-one is sourced from PubChem (CID 83201031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).