5-[1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole

C19H18FN3O3S — CID 156601925

IUPAC5-[1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCC1CN(S(=O)(=O)c2ccc(F)cc2)CC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C19H18FN3O3S/c1-13-11-23(27(24,25)16-9-7-15(20)8-10-16)12-17(13)19-21-18(22-26-19)14-5-3-2-4-6-14/h2-10,13,17H,11-12H2,1H3
InChIKeyZQEADFXMYDVTQQ-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.30
Rot. Bonds4

About 5-[1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole

5-[1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 156601925) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID156601925
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name5-[1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCC1CN(S(=O)(=O)c2ccc(F)cc2)CC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C19H18FN3O3S/c1-13-11-23(27(24,25)16-9-7-15(20)8-10-16)12-17(13)19-21-18(22-26-19)14-5-3-2-4-6-14/h2-10,13,17H,11-12H2,1H3
InChIKeyZQEADFXMYDVTQQ-UHFFFAOYSA-N
XLogP3.30
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-(benzenesulfonyl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 3225890
5-[(3R,4R)-4-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 87051934
5-(4-methyl-1-methylsulfonylpyrrolidin-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 156601885
5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 46350393
(2,4-difluorophenyl)-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 87051982
5-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 90509220
5-[(3S,4S)-1-cyclopropylsulfonyl-4-methylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 87049987
3-(3-methylphenyl)-5-[1-(4-methylphenyl)sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 71451181
5-[1-(benzenesulfonyl)azetidin-3-yl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 121095496
3-(4-fluorophenyl)-5-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 1453941
3-(4-fluorophenyl)-5-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 92751745

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole (CID 156601925) is 5-[1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole is CC1CN(S(=O)(=O)c2ccc(F)cc2)CC1c1nc(-c2ccccc2)no1.
What is the InChIKey of 5-[1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is ZQEADFXMYDVTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-13-11-23(27(24,25)16-9-7-15(20)8-10-16)12-17(13)19-21-18(22-26-19)14-5-3-2-4-6-14/h2-10,13,17H,11-12H2,1H3.
What are the key properties of 5-[1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole?
5-[1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 387.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 156601925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).