3-cyclopropyl-5-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole

C17H21N3O4S — CID 90564730

IUPAC3-cyclopropyl-5-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(S(=O)(=O)N2CCCC2c2nc(C3CC3)no2)cc1C
InChIInChI=1S/C17H21N3O4S/c1-11-10-13(7-8-15(11)23-2)25(21,22)20-9-3-4-14(20)17-18-16(19-24-17)12-5-6-12/h7-8,10,12,14H,3-6,9H2,1-2H3
InChIKeyWRZGBTYCACTRNS-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.79
Rot. Bonds5

About 3-cyclopropyl-5-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole

3-cyclopropyl-5-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 90564730) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-cyclopropyl-5-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID90564730
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name3-cyclopropyl-5-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(S(=O)(=O)N2CCCC2c2nc(C3CC3)no2)cc1C
InChIInChI=1S/C17H21N3O4S/c1-11-10-13(7-8-15(11)23-2)25(21,22)20-9-3-4-14(20)17-18-16(19-24-17)12-5-6-12/h7-8,10,12,14H,3-6,9H2,1-2H3
InChIKeyWRZGBTYCACTRNS-UHFFFAOYSA-N
XLogP2.79
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-5-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 90564727
4-[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 47001516
5-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 92732059
3-[(2S)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 92624870
5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-cyclopropyl-1,2,4-oxadiazole
CID 90564742
methyl 3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate
CID 90564783
5-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 53206219
3-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92894002
3-[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 47002052
5-[1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 46366395
(2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51856148
3-(4-chlorophenyl)-5-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95116737

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole (CID 90564730) is 3-cyclopropyl-5-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole is COc1ccc(S(=O)(=O)N2CCCC2c2nc(C3CC3)no2)cc1C.
What is the InChIKey of 3-cyclopropyl-5-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is WRZGBTYCACTRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-11-10-13(7-8-15(11)23-2)25(21,22)20-9-3-4-14(20)17-18-16(19-24-17)12-5-6-12/h7-8,10,12,14H,3-6,9H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 363.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 90564730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).