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

C20H24FN3O4S — CID 9189999

IUPACcyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC[C@H]1c1nnc(S(=O)(=O)Cc2ccccc2F)o1
InChIInChI=1S/C20H24FN3O4S/c21-16-10-5-4-9-15(16)13-29(26,27)20-23-22-18(28-20)17-11-6-12-24(17)19(25)14-7-2-1-3-8-14/h4-5,9-10,14,17H,1-3,6-8,11-13H2/t17-/m0/s1
InChIKeyXLCPCGDEZQQCNV-KRWDZBQOSA-N
MW421.49 g/mol
LogP3.43
Rot. Bonds5

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

cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 9189999) has the molecular formula C20H24FN3O4S and a molecular weight of 421.49 g/mol. Its IUPAC name is cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
PubChem CID9189999
Molecular FormulaC20H24FN3O4S
Molecular Weight421.49 g/mol
Exact Mass421.15
IUPAC Namecyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCC[C@H]1c1nnc(S(=O)(=O)Cc2ccccc2F)o1
InChIInChI=1S/C20H24FN3O4S/c21-16-10-5-4-9-15(16)13-29(26,27)20-23-22-18(28-20)17-11-6-12-24(17)19(25)14-7-2-1-3-8-14/h4-5,9-10,14,17H,1-3,6-8,11-13H2/t17-/m0/s1
InChIKeyXLCPCGDEZQQCNV-KRWDZBQOSA-N
XLogP3.43
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]pentan-1-one
CID 11937644
cyclohexyl-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone
CID 125001958
cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 125019117
cyclopropyl-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 9188056
1-[(2S)-2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 11937630
N-[2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]piperidine-1-carboxamide
CID 9190179
1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 9188175
1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
CID 110131538
cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 125026997
1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 110131528
cyclononyl-[(2S)-2-(5-cyclononyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methanone
CID 139318083

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone (CID 9189999) is cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone is O=C(C1CCCCC1)N1CCC[C@H]1c1nnc(S(=O)(=O)Cc2ccccc2F)o1.
What is the InChIKey of cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is XLCPCGDEZQQCNV-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24FN3O4S/c21-16-10-5-4-9-15(16)13-29(26,27)20-23-22-18(28-20)17-11-6-12-24(17)19(25)14-7-2-1-3-8-14/h4-5,9-10,14,17H,1-3,6-8,11-13H2/t17-/m0/s1.
What are the key properties of cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 421.49 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 9189999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).