1-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]pentan-1-one

C18H22FN3O4S — CID 11937644

IUPAC1-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC[C@H]1c1nnc(S(=O)(=O)Cc2ccccc2F)o1
InChIInChI=1S/C18H22FN3O4S/c1-2-3-10-16(23)22-11-6-9-15(22)17-20-21-18(26-17)27(24,25)12-13-7-4-5-8-14(13)19/h4-5,7-8,15H,2-3,6,9-12H2,1H3/t15-/m0/s1
InChIKeyDCRSNYKWVMVFPE-HNNXBMFYSA-N
MW395.46 g/mol
LogP3.04
Rot. Bonds7

About 1-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]pentan-1-one

1-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]pentan-1-one (PubChem CID 11937644) has the molecular formula C18H22FN3O4S and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]pentan-1-one
PubChem CID11937644
Molecular FormulaC18H22FN3O4S
Molecular Weight395.46 g/mol
Exact Mass395.13
IUPAC Name1-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC[C@H]1c1nnc(S(=O)(=O)Cc2ccccc2F)o1
InChIInChI=1S/C18H22FN3O4S/c1-2-3-10-16(23)22-11-6-9-15(22)17-20-21-18(26-17)27(24,25)12-13-7-4-5-8-14(13)19/h4-5,7-8,15H,2-3,6,9-12H2,1H3/t15-/m0/s1
InChIKeyDCRSNYKWVMVFPE-HNNXBMFYSA-N
XLogP3.04
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 9189999
1-[(2S)-2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 11937630
1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 9188175
2-(4-ethoxyphenyl)-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 11937596
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pentan-1-one
CID 4992104
2-(4-methoxyphenyl)-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 11937595
3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 46421185
1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
CID 110131538
2-(2-fluorophenyl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569592
1-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 92893660
1-[(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]hexan-1-one
CID 7236978
2-methyl-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 11937581

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]pentan-1-one?
The IUPAC name of 1-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]pentan-1-one (CID 11937644) is 1-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]pentan-1-one is CCCCC(=O)N1CCC[C@H]1c1nnc(S(=O)(=O)Cc2ccccc2F)o1.
What is the InChIKey of 1-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]pentan-1-one?
The InChIKey is DCRSNYKWVMVFPE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22FN3O4S/c1-2-3-10-16(23)22-11-6-9-15(22)17-20-21-18(26-17)27(24,25)12-13-7-4-5-8-14(13)19/h4-5,7-8,15H,2-3,6,9-12H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]pentan-1-one?
1-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]pentan-1-one has a molecular weight of 395.46 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]pentan-1-one is sourced from PubChem (CID 11937644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).