3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-methylpyrrolidin-2-one

C14H21N3O2S — CID 127623579

IUPAC3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-methylpyrrolidin-2-one
SMILESCN1CCC(SCc2noc(C3CCCCC3)n2)C1=O
InChIInChI=1S/C14H21N3O2S/c1-17-8-7-11(14(17)18)20-9-12-15-13(19-16-12)10-5-3-2-4-6-10/h10-11H,2-9H2,1H3
InChIKeyYSLAKIGKXFPFKP-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.58
Rot. Bonds4

About 3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-methylpyrrolidin-2-one

3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-methylpyrrolidin-2-one (PubChem CID 127623579) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-methylpyrrolidin-2-one
PubChem CID127623579
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-methylpyrrolidin-2-one
SMILESCN1CCC(SCc2noc(C3CCCCC3)n2)C1=O
InChIInChI=1S/C14H21N3O2S/c1-17-8-7-11(14(17)18)20-9-12-15-13(19-16-12)10-5-3-2-4-6-10/h10-11H,2-9H2,1H3
InChIKeyYSLAKIGKXFPFKP-UHFFFAOYSA-N
XLogP2.58
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-methylpyrrolidin-2-one with MolForge

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Related Compounds

N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162
5-(azetidin-3-yl)-3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazole
CID 79316568
3-(chloromethyl)-5-cyclohexyl-1,2,4-oxadiazole;N-methylformamide
CID 145398456
[5-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 121496539
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 65129428
4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 65137410
(3R)-3-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one
CID 98847852
2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide
CID 71970446
3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911863
3-cyclohexylsulfanyl-1-methylpyrrolidin-2-one
CID 71930985
1-(2-methoxyethyl)-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 72882973
3-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552075

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-methylpyrrolidin-2-one (CID 127623579) is 3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-methylpyrrolidin-2-one is CN1CCC(SCc2noc(C3CCCCC3)n2)C1=O.
What is the InChIKey of 3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-methylpyrrolidin-2-one?
The InChIKey is YSLAKIGKXFPFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-17-8-7-11(14(17)18)20-9-12-15-13(19-16-12)10-5-3-2-4-6-10/h10-11H,2-9H2,1H3.
What are the key properties of 3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-methylpyrrolidin-2-one?
3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-methylpyrrolidin-2-one has a molecular weight of 295.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 127623579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).