5-cyclobutyl-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole

C11H17N3O3S — CID 119043575

IUPAC5-cyclobutyl-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)N1CCCC1c1noc(C2CCC2)n1
InChIInChI=1S/C11H17N3O3S/c1-18(15,16)14-7-3-6-9(14)10-12-11(17-13-10)8-4-2-5-8/h8-9H,2-7H2,1H3
InChIKeyFMPCTMSWLMJWTC-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.43
Rot. Bonds3

About 5-cyclobutyl-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole

5-cyclobutyl-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 119043575) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-cyclobutyl-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclobutyl-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID119043575
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name5-cyclobutyl-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)N1CCCC1c1noc(C2CCC2)n1
InChIInChI=1S/C11H17N3O3S/c1-18(15,16)14-7-3-6-9(14)10-12-11(17-13-10)8-4-2-5-8/h8-9H,2-7H2,1H3
InChIKeyFMPCTMSWLMJWTC-UHFFFAOYSA-N
XLogP1.43
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylsulfonylpyrrolidin-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole
CID 119043574
3,5-dimethyl-4-(1-methylsulfonylpyrrolidin-2-yl)-1,2-oxazole
CID 53009594
5-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 166332098
3-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-methylpropane-1-sulfonamide
CID 97062378
N-(cyclopropylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 91908859
5-cyclopropyl-3-[(2S)-1-(3-methoxypropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 96999620
5-methyl-3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 93070178
[(2S)-1-methylsulfonylpyrrolidin-2-yl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 131930930
3-cyclopropyl-5-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 90564727
N-(cyclohexylmethyl)-3-[3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 91919329
4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide
CID 120957246
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 166406186

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclobutyl-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole (CID 119043575) is 5-cyclobutyl-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclobutyl-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclobutyl-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole is CS(=O)(=O)N1CCCC1c1noc(C2CCC2)n1.
What is the InChIKey of 5-cyclobutyl-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is FMPCTMSWLMJWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-18(15,16)14-7-3-6-9(14)10-12-11(17-13-10)8-4-2-5-8/h8-9H,2-7H2,1H3.
What are the key properties of 5-cyclobutyl-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole?
5-cyclobutyl-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 271.34 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-3-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 119043575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).