[(3S,4S)-1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpyrrolidin-3-yl]methanesulfonamide

C15H19ClN4O3S — CID 167883377

IUPAC[(3S,4S)-1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpyrrolidin-3-yl]methanesulfonamide
SMILESC[C@@H]1CN(Cc2nnc(-c3ccc(Cl)cc3)o2)C[C@H]1CS(N)(=O)=O
InChIInChI=1S/C15H19ClN4O3S/c1-10-6-20(7-12(10)9-24(17,21)22)8-14-18-19-15(23-14)11-2-4-13(16)5-3-11/h2-5,10,12H,6-9H2,1H3,(H2,17,21,22)/t10-,12+/m1/s1
InChIKeyCYXCPMAHMZOMMT-PWSUYJOCSA-N
MW370.86 g/mol
LogP1.75
Rot. Bonds5

About [(3S,4S)-1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpyrrolidin-3-yl]methanesulfonamide

[(3S,4S)-1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 167883377) has the molecular formula C15H19ClN4O3S and a molecular weight of 370.86 g/mol. Its IUPAC name is [(3S,4S)-1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[(3S,4S)-1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpyrrolidin-3-yl]methanesulfonamide
PubChem CID167883377
Molecular FormulaC15H19ClN4O3S
Molecular Weight370.86 g/mol
Exact Mass370.09
IUPAC Name[(3S,4S)-1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpyrrolidin-3-yl]methanesulfonamide
SMILESC[C@@H]1CN(Cc2nnc(-c3ccc(Cl)cc3)o2)C[C@H]1CS(N)(=O)=O
InChIInChI=1S/C15H19ClN4O3S/c1-10-6-20(7-12(10)9-24(17,21)22)8-14-18-19-15(23-14)11-2-4-13(16)5-3-11/h2-5,10,12H,6-9H2,1H3,(H2,17,21,22)/t10-,12+/m1/s1
InChIKeyCYXCPMAHMZOMMT-PWSUYJOCSA-N
XLogP1.75
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,6R)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine
CID 31476823
1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylpiperidin-3-amine
CID 79993305
1-[(3R,4R)-4-hydroxy-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134708456
5-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-amine
CID 79992774
4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine
CID 18087170
[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholin-2-yl]methanamine
CID 114398805
4-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 103898076
[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788159
[1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 60642415
2-(4-chlorophenyl)-5-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 9256962
2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8688023
(3aR,7aR)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2540595

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [(3S,4S)-1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpyrrolidin-3-yl]methanesulfonamide (CID 167883377) is [(3S,4S)-1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [(3S,4S)-1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [(3S,4S)-1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpyrrolidin-3-yl]methanesulfonamide is C[C@@H]1CN(Cc2nnc(-c3ccc(Cl)cc3)o2)C[C@H]1CS(N)(=O)=O.
What is the InChIKey of [(3S,4S)-1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is CYXCPMAHMZOMMT-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H19ClN4O3S/c1-10-6-20(7-12(10)9-24(17,21)22)8-14-18-19-15(23-14)11-2-4-13(16)5-3-11/h2-5,10,12H,6-9H2,1H3,(H2,17,21,22)/t10-,12+/m1/s1.
What are the key properties of [(3S,4S)-1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpyrrolidin-3-yl]methanesulfonamide?
[(3S,4S)-1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 370.86 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 167883377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).