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

C16H17FN2O2 — CID 100692589

IUPAC5-[1-(3-fluorophenyl)cyclobutyl]-3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazole
SMILESFc1cccc(C2(c3nc([C@@H]4CCCO4)no3)CCC2)c1
InChIInChI=1S/C16H17FN2O2/c17-12-5-1-4-11(10-12)16(7-3-8-16)15-18-14(19-21-15)13-6-2-9-20-13/h1,4-5,10,13H,2-3,6-9H2/t13-/m0/s1
InChIKeyCIHFZLOTGGRROD-ZDUSSCGKSA-N
MW288.32 g/mol
LogP3.53
Rot. Bonds3

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

5-[1-(3-fluorophenyl)cyclobutyl]-3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazole (PubChem CID 100692589) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 5-[1-(3-fluorophenyl)cyclobutyl]-3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(3-fluorophenyl)cyclobutyl]-3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazole
PubChem CID100692589
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name5-[1-(3-fluorophenyl)cyclobutyl]-3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazole
SMILESFc1cccc(C2(c3nc([C@@H]4CCCO4)no3)CCC2)c1
InChIInChI=1S/C16H17FN2O2/c17-12-5-1-4-11(10-12)16(7-3-8-16)15-18-14(19-21-15)13-6-2-9-20-13/h1,4-5,10,13H,2-3,6-9H2/t13-/m0/s1
InChIKeyCIHFZLOTGGRROD-ZDUSSCGKSA-N
XLogP3.53
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-fluorophenyl)cyclobutyl]-3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(3-fluorophenyl)cyclobutyl]-3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazole (CID 100692589) is 5-[1-(3-fluorophenyl)cyclobutyl]-3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(3-fluorophenyl)cyclobutyl]-3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(3-fluorophenyl)cyclobutyl]-3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazole is Fc1cccc(C2(c3nc([C@@H]4CCCO4)no3)CCC2)c1.
What is the InChIKey of 5-[1-(3-fluorophenyl)cyclobutyl]-3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazole?
The InChIKey is CIHFZLOTGGRROD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-12-5-1-4-11(10-12)16(7-3-8-16)15-18-14(19-21-15)13-6-2-9-20-13/h1,4-5,10,13H,2-3,6-9H2/t13-/m0/s1.
What are the key properties of 5-[1-(3-fluorophenyl)cyclobutyl]-3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazole?
5-[1-(3-fluorophenyl)cyclobutyl]-3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazole has a molecular weight of 288.32 g/mol, XLogP of 3.53, 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)cyclobutyl]-3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 100692589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).