[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

C22H20F2N2O3 — CID 8603212

IUPAC[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESC[C@@H](OC(=O)C1(c2ccc(F)cc2)CCCC1)c1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H20F2N2O3/c1-14(19-25-26-20(29-19)15-4-8-17(23)9-5-15)28-21(27)22(12-2-3-13-22)16-6-10-18(24)11-7-16/h4-11,14H,2-3,12-13H2,1H3/t14-/m1/s1
InChIKeyDUBVTKUBKAVTHB-CQSZACIVSA-N
MW398.41 g/mol
LogP5.13
Rot. Bonds5

About [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate

[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 8603212) has the molecular formula C22H20F2N2O3 and a molecular weight of 398.41 g/mol. Its IUPAC name is [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID8603212
Molecular FormulaC22H20F2N2O3
Molecular Weight398.41 g/mol
Exact Mass398.14
IUPAC Name[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
SMILESC[C@@H](OC(=O)C1(c2ccc(F)cc2)CCCC1)c1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H20F2N2O3/c1-14(19-25-26-20(29-19)15-4-8-17(23)9-5-15)28-21(27)22(12-2-3-13-22)16-6-10-18(24)11-7-16/h4-11,14H,2-3,12-13H2,1H3/t14-/m1/s1
InChIKeyDUBVTKUBKAVTHB-CQSZACIVSA-N
XLogP5.13
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.41
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-propan-2-ylbenzoate
CID 9417146
[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-chlorobenzoate
CID 9412590
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866171
[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] (E)-3-phenylprop-2-enoate
CID 9415384
[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-methylthiophene-2-carboxylate
CID 9415018
[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3-bromobenzoate
CID 9416196
[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-chloropyridine-3-carboxylate
CID 9415797
[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 8913722
[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-hydroxynaphthalene-2-carboxylate
CID 8602918
[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] (E)-3-(5-methylthiophen-2-yl)prop-2-enoate
CID 8640970
[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-pyrazol-1-ylbenzoate
CID 8601585
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824658

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate (CID 8603212) is [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is C[C@@H](OC(=O)C1(c2ccc(F)cc2)CCCC1)c1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is DUBVTKUBKAVTHB-CQSZACIVSA-N. The full InChI is InChI=1S/C22H20F2N2O3/c1-14(19-25-26-20(29-19)15-4-8-17(23)9-5-15)28-21(27)22(12-2-3-13-22)16-6-10-18(24)11-7-16/h4-11,14H,2-3,12-13H2,1H3/t14-/m1/s1.
What are the key properties of [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate?
[(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 398.41 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 8603212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).