5-[(4-fluorophenyl)methyl]-2-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,3-oxazole

C19H18FN3O3S — CID 124968551

IUPAC5-[(4-fluorophenyl)methyl]-2-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,3-oxazole
SMILESO=S(=O)(c1cccnc1)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C19H18FN3O3S/c20-15-7-5-14(6-8-15)11-16-12-22-19(26-16)18-4-2-10-23(18)27(24,25)17-3-1-9-21-13-17/h1,3,5-9,12-13,18H,2,4,10-11H2/t18-/m0/s1
InChIKeyJBXCFSYRNKPFQV-SFHVURJKSA-N
MW387.44 g/mol
LogP3.33
Rot. Bonds5

About 5-[(4-fluorophenyl)methyl]-2-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,3-oxazole

5-[(4-fluorophenyl)methyl]-2-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,3-oxazole (PubChem CID 124968551) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-2-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-2-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,3-oxazole
PubChem CID124968551
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name5-[(4-fluorophenyl)methyl]-2-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,3-oxazole
SMILESO=S(=O)(c1cccnc1)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C19H18FN3O3S/c20-15-7-5-14(6-8-15)11-16-12-22-19(26-16)18-4-2-10-23(18)27(24,25)17-3-1-9-21-13-17/h1,3,5-9,12-13,18H,2,4,10-11H2/t18-/m0/s1
InChIKeyJBXCFSYRNKPFQV-SFHVURJKSA-N
XLogP3.33
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-fluorophenyl)methyl]-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-1,3-oxazole
CID 110121353
[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-pyridazin-3-ylmethanone
CID 124976695
[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 124957841
3-methyl-5-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95824618
1-[(3R)-3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124948495
3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine
CID 110271118
2-(azepan-1-yl)-1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 125023843
[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124978238
1-(4-fluorophenyl)-2-(1-pyridin-3-ylsulfonylpyrrolidin-2-yl)ethanone
CID 75517518
3-(4-fluorophenyl)-5-(1-pyridin-3-ylsulfonylazepan-2-yl)-1,2-oxazole
CID 110215758
5-[(2-chlorophenyl)methyl]-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,3-oxazole
CID 110120105
2-(3-fluorophenoxy)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 124967242

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-2-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,3-oxazole?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-2-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,3-oxazole (CID 124968551) is 5-[(4-fluorophenyl)methyl]-2-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,3-oxazole.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-2-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,3-oxazole?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-2-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,3-oxazole is O=S(=O)(c1cccnc1)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-2-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,3-oxazole?
The InChIKey is JBXCFSYRNKPFQV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c20-15-7-5-14(6-8-15)11-16-12-22-19(26-16)18-4-2-10-23(18)27(24,25)17-3-1-9-21-13-17/h1,3,5-9,12-13,18H,2,4,10-11H2/t18-/m0/s1.
What are the key properties of 5-[(4-fluorophenyl)methyl]-2-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,3-oxazole?
5-[(4-fluorophenyl)methyl]-2-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,3-oxazole has a molecular weight of 387.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-2-[(2S)-1-pyridin-3-ylsulfonylpyrrolidin-2-yl]-1,3-oxazole is sourced from PubChem (CID 124968551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).