5-[1-(benzenesulfonyl)-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole

C18H18N4O3S — CID 156601859

IUPAC5-[1-(benzenesulfonyl)-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCC1CN(S(=O)(=O)c2ccccc2)CC1c1nc(-c2ccncc2)no1
InChIInChI=1S/C18H18N4O3S/c1-13-11-22(26(23,24)15-5-3-2-4-6-15)12-16(13)18-20-17(21-25-18)14-7-9-19-10-8-14/h2-10,13,16H,11-12H2,1H3
InChIKeyFZBNUKCPJKPFER-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.56
Rot. Bonds4

About 5-[1-(benzenesulfonyl)-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole

5-[1-(benzenesulfonyl)-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 156601859) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(benzenesulfonyl)-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID156601859
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name5-[1-(benzenesulfonyl)-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCC1CN(S(=O)(=O)c2ccccc2)CC1c1nc(-c2ccncc2)no1
InChIInChI=1S/C18H18N4O3S/c1-13-11-22(26(23,24)15-5-3-2-4-6-15)12-16(13)18-20-17(21-25-18)14-7-9-19-10-8-14/h2-10,13,16H,11-12H2,1H3
InChIKeyFZBNUKCPJKPFER-UHFFFAOYSA-N
XLogP2.56
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 156601925
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-[(3R,4R)-4-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 87051934
1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 156601559
5-[1-(3-methylsulfonylphenyl)sulfonylpiperidin-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 24731368
5-[1-(benzenesulfonyl)azetidin-3-yl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 121095496
5-[(3R)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 92751718
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 5138460
2-(2-methylimidazol-1-yl)-1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 156601877
(3R,4R)-3-methyl-N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 87051960
5-[1-(benzenesulfonyl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 3225890

Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(benzenesulfonyl)-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 156601859) is 5-[1-(benzenesulfonyl)-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(benzenesulfonyl)-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(benzenesulfonyl)-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is CC1CN(S(=O)(=O)c2ccccc2)CC1c1nc(-c2ccncc2)no1.
What is the InChIKey of 5-[1-(benzenesulfonyl)-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is FZBNUKCPJKPFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-13-11-22(26(23,24)15-5-3-2-4-6-15)12-16(13)18-20-17(21-25-18)14-7-9-19-10-8-14/h2-10,13,16H,11-12H2,1H3.
What are the key properties of 5-[1-(benzenesulfonyl)-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[1-(benzenesulfonyl)-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 370.43 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzenesulfonyl)-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 156601859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).