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5-[(3R,4R)-1-(2-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole

C19H18FN3O3S — CID 129418097

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[(3R,4R)-1-(2-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@H]2CN(S(=O)(=O)c3ccccc3F)C[C@H]2c2ccccc2)n1
InChIInChI=1S/C19H18FN3O3S/c1-13-21-19(26-22-13)16-12-23(11-15(16)14-7-3-2-4-8-14)27(24,25)18-10-6-5-9-17(18)20/h2-10,15-16H,11-12H2,1H3/t15-,16-/m0/s1
InChIKeyXHHSPZFIDTYQEJ-HOTGVXAUSA-N
MW387.44 g/mol
LogP3.09
Rot. Bonds4

About 5-[(3R,4R)-1-(2-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole

5-[(3R,4R)-1-(2-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 129418097) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-[(3R,4R)-1-(2-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3R,4R)-1-(2-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID129418097
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name5-[(3R,4R)-1-(2-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@H]2CN(S(=O)(=O)c3ccccc3F)C[C@H]2c2ccccc2)n1
InChIInChI=1S/C19H18FN3O3S/c1-13-21-19(26-22-13)16-12-23(11-15(16)14-7-3-2-4-8-14)27(24,25)18-10-6-5-9-17(18)20/h2-10,15-16H,11-12H2,1H3/t15-,16-/m0/s1
InChIKeyXHHSPZFIDTYQEJ-HOTGVXAUSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R,4R)-1-(2-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3R,4R)-1-(2-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole (CID 129418097) is 5-[(3R,4R)-1-(2-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3R,4R)-1-(2-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3R,4R)-1-(2-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc([C@H]2CN(S(=O)(=O)c3ccccc3F)C[C@H]2c2ccccc2)n1.
What is the InChIKey of 5-[(3R,4R)-1-(2-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is XHHSPZFIDTYQEJ-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-13-21-19(26-22-13)16-12-23(11-15(16)14-7-3-2-4-8-14)27(24,25)18-10-6-5-9-17(18)20/h2-10,15-16H,11-12H2,1H3/t15-,16-/m0/s1.
What are the key properties of 5-[(3R,4R)-1-(2-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[(3R,4R)-1-(2-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 387.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R,4R)-1-(2-fluorophenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 129418097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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