5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole

C20H26FN3O3S — CID 125008440

IUPAC5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole
SMILESCS(=O)(=O)N1CCC(N2CC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)CC1
InChIInChI=1S/C20H26FN3O3S/c1-28(25,26)24-9-6-18(7-10-24)23-8-5-16(14-23)20-22-13-19(27-20)12-15-3-2-4-17(21)11-15/h2-4,11,13,16,18H,5-10,12,14H2,1H3/t16-/m1/s1
InChIKeyUVAUGZFHWSZAQJ-MRXNPFEDSA-N
MW407.51 g/mol
LogP2.62
Rot. Bonds5

About 5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole

5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole (PubChem CID 125008440) has the molecular formula C20H26FN3O3S and a molecular weight of 407.51 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole
PubChem CID125008440
Molecular FormulaC20H26FN3O3S
Molecular Weight407.51 g/mol
Exact Mass407.17
IUPAC Name5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole
SMILESCS(=O)(=O)N1CCC(N2CC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)CC1
InChIInChI=1S/C20H26FN3O3S/c1-28(25,26)24-9-6-18(7-10-24)23-8-5-16(14-23)20-22-13-19(27-20)12-15-3-2-4-17(21)11-15/h2-4,11,13,16,18H,5-10,12,14H2,1H3/t16-/m1/s1
InChIKeyUVAUGZFHWSZAQJ-MRXNPFEDSA-N
XLogP2.62
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-fluorophenyl)methyl]-2-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-1,3-oxazole
CID 124960502
5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole
CID 124989778
2-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-5-[(3-fluorophenyl)methyl]-1,3-oxazole
CID 124985322
[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 125013432
[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 125020355
2-[(2R)-1-cyclopentylpyrrolidin-2-yl]-5-[(3-fluorophenyl)methyl]-1,3-oxazole
CID 124956667
5-[(2-fluorophenyl)methyl]-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-oxazole
CID 124978728
1-[2-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 124976269
1-[2-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 110119672
2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 125023481
1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 129457194
6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 124964915

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole (CID 125008440) is 5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole is CS(=O)(=O)N1CCC(N2CC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)CC1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole?
The InChIKey is UVAUGZFHWSZAQJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26FN3O3S/c1-28(25,26)24-9-6-18(7-10-24)23-8-5-16(14-23)20-22-13-19(27-20)12-15-3-2-4-17(21)11-15/h2-4,11,13,16,18H,5-10,12,14H2,1H3/t16-/m1/s1.
What are the key properties of 5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole?
5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole has a molecular weight of 407.51 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-2-[(3R)-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-3-yl]-1,3-oxazole is sourced from PubChem (CID 125008440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).