5-[(3R,4R)-4-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole

C19H20N4O3S — CID 87051934

IUPAC5-[(3R,4R)-4-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1cccc(S(=O)(=O)N2C[C@H](c3nc(-c4cccnc4)no3)[C@@H](C)C2)c1
InChIInChI=1S/C19H20N4O3S/c1-13-5-3-7-16(9-13)27(24,25)23-11-14(2)17(12-23)19-21-18(22-26-19)15-6-4-8-20-10-15/h3-10,14,17H,11-12H2,1-2H3/t14-,17-/m0/s1
InChIKeyACHOKFPPGATGIQ-YOEHRIQHSA-N
MW384.46 g/mol
LogP2.86
Rot. Bonds4

About 5-[(3R,4R)-4-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[(3R,4R)-4-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 87051934) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-[(3R,4R)-4-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3R,4R)-4-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID87051934
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name5-[(3R,4R)-4-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCc1cccc(S(=O)(=O)N2C[C@H](c3nc(-c4cccnc4)no3)[C@@H](C)C2)c1
InChIInChI=1S/C19H20N4O3S/c1-13-5-3-7-16(9-13)27(24,25)23-11-14(2)17(12-23)19-21-18(22-26-19)15-6-4-8-20-10-15/h3-10,14,17H,11-12H2,1-2H3/t14-,17-/m0/s1
InChIKeyACHOKFPPGATGIQ-YOEHRIQHSA-N
XLogP2.86
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(benzenesulfonyl)-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 156601859
5-[1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 156601925
5-[(1R,2S)-2-methylcyclopropyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 100676956
N-(2,5-dimethylphenyl)-3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 156601928
3-(3-methylphenyl)-5-[1-(4-methylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 71451181
4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 110224506
(2R)-4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 92568402
5-(4-methyl-1-methylsulfonylpyrrolidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 156601885
5-[(3S,4S)-1-cyclopropylsulfonyl-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 87049987
5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 114085802
3-[3-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]sulfonylpyridine
CID 143257621
5-[8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 171148663

Frequently Asked Questions

What is the IUPAC name of 5-[(3R,4R)-4-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3R,4R)-4-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 87051934) is 5-[(3R,4R)-4-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3R,4R)-4-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3R,4R)-4-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole is Cc1cccc(S(=O)(=O)N2C[C@H](c3nc(-c4cccnc4)no3)[C@@H](C)C2)c1.
What is the InChIKey of 5-[(3R,4R)-4-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is ACHOKFPPGATGIQ-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-13-5-3-7-16(9-13)27(24,25)23-11-14(2)17(12-23)19-21-18(22-26-19)15-6-4-8-20-10-15/h3-10,14,17H,11-12H2,1-2H3/t14-,17-/m0/s1.
What are the key properties of 5-[(3R,4R)-4-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[(3R,4R)-4-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 384.46 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R,4R)-4-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 87051934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).