5-[(2-fluorophenyl)methyl]-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-oxazole

C16H19FN2O3S — CID 124978728

IUPAC5-[(2-fluorophenyl)methyl]-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-oxazole
SMILESCS(=O)(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1
InChIInChI=1S/C16H19FN2O3S/c1-23(20,21)19-8-4-6-13(11-19)16-18-10-14(22-16)9-12-5-2-3-7-15(12)17/h2-3,5,7,10,13H,4,6,8-9,11H2,1H3/t13-/m1/s1
InChIKeyLWAWSSHJACNJIN-CYBMUJFWSA-N
MW338.40 g/mol
LogP2.54
Rot. Bonds4

About 5-[(2-fluorophenyl)methyl]-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-oxazole

5-[(2-fluorophenyl)methyl]-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-oxazole (PubChem CID 124978728) has the molecular formula C16H19FN2O3S and a molecular weight of 338.40 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-oxazole
PubChem CID124978728
Molecular FormulaC16H19FN2O3S
Molecular Weight338.40 g/mol
Exact Mass338.11
IUPAC Name5-[(2-fluorophenyl)methyl]-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-oxazole
SMILESCS(=O)(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1
InChIInChI=1S/C16H19FN2O3S/c1-23(20,21)19-8-4-6-13(11-19)16-18-10-14(22-16)9-12-5-2-3-7-15(12)17/h2-3,5,7,10,13H,4,6,8-9,11H2,1H3/t13-/m1/s1
InChIKeyLWAWSSHJACNJIN-CYBMUJFWSA-N
XLogP2.54
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-fluorophenyl)methyl]-2-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-oxazole
CID 124947832
[(3R)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 125004088
[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124998304
5-[(3-fluorophenyl)methyl]-2-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-1,3-oxazole
CID 124960502
5-[(2-chlorophenyl)methyl]-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,3-oxazole
CID 110120105
1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
CID 110131538
1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 110131528
2-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-[(2-methoxyphenyl)methyl]-1,3-oxazole
CID 124993357
cyclohexyl-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone
CID 125001958
2-(2-fluorophenyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 79613090
cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 125019117
[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[6-[(2-fluorophenyl)methyl]-3-pyridinyl]methanone
CID 129459950

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-oxazole?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-oxazole (CID 124978728) is 5-[(2-fluorophenyl)methyl]-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-oxazole.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-oxazole?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-oxazole is CS(=O)(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-oxazole?
The InChIKey is LWAWSSHJACNJIN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19FN2O3S/c1-23(20,21)19-8-4-6-13(11-19)16-18-10-14(22-16)9-12-5-2-3-7-15(12)17/h2-3,5,7,10,13H,4,6,8-9,11H2,1H3/t13-/m1/s1.
What are the key properties of 5-[(2-fluorophenyl)methyl]-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-oxazole?
5-[(2-fluorophenyl)methyl]-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-oxazole has a molecular weight of 338.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-oxazole is sourced from PubChem (CID 124978728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).