5-[1-(3-fluorophenyl)cyclopentyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole

C17H19FN2O2 — CID 97077225

IUPAC5-[1-(3-fluorophenyl)cyclopentyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESFc1cccc(C2(c3nc([C@@H]4CCOC4)no3)CCCC2)c1
InChIInChI=1S/C17H19FN2O2/c18-14-5-3-4-13(10-14)17(7-1-2-8-17)16-19-15(20-22-16)12-6-9-21-11-12/h3-5,10,12H,1-2,6-9,11H2/t12-/m1/s1
InChIKeyCEBWAENNPFGPAS-GFCCVEGCSA-N
MW302.35 g/mol
LogP3.57
Rot. Bonds3

About 5-[1-(3-fluorophenyl)cyclopentyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole

5-[1-(3-fluorophenyl)cyclopentyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97077225) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 5-[1-(3-fluorophenyl)cyclopentyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(3-fluorophenyl)cyclopentyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97077225
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name5-[1-(3-fluorophenyl)cyclopentyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESFc1cccc(C2(c3nc([C@@H]4CCOC4)no3)CCCC2)c1
InChIInChI=1S/C17H19FN2O2/c18-14-5-3-4-13(10-14)17(7-1-2-8-17)16-19-15(20-22-16)12-6-9-21-11-12/h3-5,10,12H,1-2,6-9,11H2/t12-/m1/s1
InChIKeyCEBWAENNPFGPAS-GFCCVEGCSA-N
XLogP3.57
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolan-3-yl)-5-(1-phenylcyclopentyl)-1,2,4-oxadiazole
CID 72911854
3-[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 75475174
5-[1-(3-fluorophenyl)cyclobutyl]-3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazole
CID 100692589
5-[1-(4-chlorophenyl)cyclopropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97077853
5-[1-(4-methylsulfonylphenyl)cyclohexyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72912928
5-[4-(3-chlorophenyl)oxan-4-yl]-3-cyclopentyl-1,2,4-oxadiazole
CID 56804175
3-(3-methyloxan-4-yl)-5-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazole
CID 136551340
5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72866103
5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 65330606
5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916243
3-[[5-[1-(3-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 71863994
1-[5-[1-(3-fluorophenyl)cyclohexyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120869381

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-fluorophenyl)cyclopentyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(3-fluorophenyl)cyclopentyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97077225) is 5-[1-(3-fluorophenyl)cyclopentyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(3-fluorophenyl)cyclopentyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(3-fluorophenyl)cyclopentyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole is Fc1cccc(C2(c3nc([C@@H]4CCOC4)no3)CCCC2)c1.
What is the InChIKey of 5-[1-(3-fluorophenyl)cyclopentyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is CEBWAENNPFGPAS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19FN2O2/c18-14-5-3-4-13(10-14)17(7-1-2-8-17)16-19-15(20-22-16)12-6-9-21-11-12/h3-5,10,12H,1-2,6-9,11H2/t12-/m1/s1.
What are the key properties of 5-[1-(3-fluorophenyl)cyclopentyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
5-[1-(3-fluorophenyl)cyclopentyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 302.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-fluorophenyl)cyclopentyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97077225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).