1-[(3R,4R)-4-hydroxy-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

C16H22N4O4S — CID 134708456

IUPAC1-[(3R,4R)-4-hydroxy-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H]1CN(Cc2nnc(-c3ccccc3)o2)C[C@@H]1O
InChIInChI=1S/C16H22N4O4S/c1-19(2)25(22,23)11-13-8-20(9-14(13)21)10-15-17-18-16(24-15)12-6-4-3-5-7-12/h3-7,13-14,21H,8-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyOMWHPSRYCHLCGX-KBPBESRZSA-N
MW366.44 g/mol
LogP0.42
Rot. Bonds6

About 1-[(3R,4R)-4-hydroxy-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

1-[(3R,4R)-4-hydroxy-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide (PubChem CID 134708456) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-[(3R,4R)-4-hydroxy-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide.

Molecular Properties

Compound Name1-[(3R,4R)-4-hydroxy-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
PubChem CID134708456
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name1-[(3R,4R)-4-hydroxy-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H]1CN(Cc2nnc(-c3ccccc3)o2)C[C@@H]1O
InChIInChI=1S/C16H22N4O4S/c1-19(2)25(22,23)11-13-8-20(9-14(13)21)10-15-17-18-16(24-15)12-6-4-3-5-7-12/h3-7,13-14,21H,8-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyOMWHPSRYCHLCGX-KBPBESRZSA-N
XLogP0.42
TPSA99.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 135110500
1-[(3R,4R)-4-hydroxy-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134702513
4-methyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol
CID 103898404
formic acid;1-[(3R,4S)-4-hydroxy-1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 171321514
[(3S,4S)-1-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpyrrolidin-3-yl]methanesulfonamide
CID 167883377
[6-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanol
CID 102935895
1-[(3R,4S)-1-[(2,3-dichlorophenyl)methyl]-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134697998
1-[(3R,4R)-4-hydroxy-1-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134714740
1-[(3R,4R)-4-hydroxy-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134701493
1-[(3R,4R)-4-hydroxy-1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 137313987
2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643022
N-phenyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 31691706

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-4-hydroxy-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The IUPAC name of 1-[(3R,4R)-4-hydroxy-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide (CID 134708456) is 1-[(3R,4R)-4-hydroxy-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide.
What is the SMILES notation for 1-[(3R,4R)-4-hydroxy-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The canonical SMILES for 1-[(3R,4R)-4-hydroxy-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide is CN(C)S(=O)(=O)C[C@@H]1CN(Cc2nnc(-c3ccccc3)o2)C[C@@H]1O.
What is the InChIKey of 1-[(3R,4R)-4-hydroxy-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The InChIKey is OMWHPSRYCHLCGX-KBPBESRZSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-19(2)25(22,23)11-13-8-20(9-14(13)21)10-15-17-18-16(24-15)12-6-4-3-5-7-12/h3-7,13-14,21H,8-11H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of 1-[(3R,4R)-4-hydroxy-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
1-[(3R,4R)-4-hydroxy-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide has a molecular weight of 366.44 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-4-hydroxy-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide is sourced from PubChem (CID 134708456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).