5-cyclobutyl-3-[(4-fluorophenyl)methylsulfonylmethyl]-1,2,4-oxadiazole

C14H15FN2O3S — CID 2742631

IUPAC5-cyclobutyl-3-[(4-fluorophenyl)methylsulfonylmethyl]-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1ccc(F)cc1)Cc1noc(C2CCC2)n1
InChIInChI=1S/C14H15FN2O3S/c15-12-6-4-10(5-7-12)8-21(18,19)9-13-16-14(20-17-13)11-2-1-3-11/h4-7,11H,1-3,8-9H2
InChIKeyWEQWZFXZAHQVSI-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.59
Rot. Bonds5

About 5-cyclobutyl-3-[(4-fluorophenyl)methylsulfonylmethyl]-1,2,4-oxadiazole

5-cyclobutyl-3-[(4-fluorophenyl)methylsulfonylmethyl]-1,2,4-oxadiazole (PubChem CID 2742631) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 5-cyclobutyl-3-[(4-fluorophenyl)methylsulfonylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclobutyl-3-[(4-fluorophenyl)methylsulfonylmethyl]-1,2,4-oxadiazole
PubChem CID2742631
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name5-cyclobutyl-3-[(4-fluorophenyl)methylsulfonylmethyl]-1,2,4-oxadiazole
SMILESO=S(=O)(Cc1ccc(F)cc1)Cc1noc(C2CCC2)n1
InChIInChI=1S/C14H15FN2O3S/c15-12-6-4-10(5-7-12)8-21(18,19)9-13-16-14(20-17-13)11-2-1-3-11/h4-7,11H,1-3,8-9H2
InChIKeyWEQWZFXZAHQVSI-UHFFFAOYSA-N
XLogP2.59
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[[(E)-3-phenylprop-2-enyl]sulfonylmethyl]-1,2,4-oxadiazole
CID 45822649
3-(Benzenesulfonylmethyl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 45825912
3-Cyclopropyl-5-[(2-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
CID 45826192
3-Cyclopropyl-5-[(2-methylphenyl)methylsulfonylmethyl]-1,2,4-oxadiazole
CID 45891783
3-Cyclopropyl-5-(2-phenylethylsulfonylmethyl)-1,2,4-oxadiazole
CID 47206842
3-cyclopropyl-5-[[(E)-3-phenylprop-2-enyl]sulfonylmethyl]-1,2,4-oxadiazole
CID 53524520
3-ethyl-5-[[(E)-3-phenylprop-2-enyl]sulfonylmethyl]-1,2,4-oxadiazole
CID 53525781
3-Ethyl-5-[(2-methylphenyl)methylsulfonylmethyl]-1,2,4-oxadiazole
CID 53527984
3-[(4-Fluorophenyl)methyl]-5-[1-(2-methylsulfonylethylsulfanyl)ethyl]-1,2,4-oxadiazole
CID 71855929
3-Benzyl-5-[1-(2-methylsulfonylethylsulfanyl)ethyl]-1,2,4-oxadiazole
CID 72000842
3-[3-(4-Fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]thiolane 1,1-dioxide
CID 72019573
5-Cyclopropyl-3-[[1-[(2-fluorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 91918639

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3-[(4-fluorophenyl)methylsulfonylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclobutyl-3-[(4-fluorophenyl)methylsulfonylmethyl]-1,2,4-oxadiazole (CID 2742631) is 5-cyclobutyl-3-[(4-fluorophenyl)methylsulfonylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclobutyl-3-[(4-fluorophenyl)methylsulfonylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclobutyl-3-[(4-fluorophenyl)methylsulfonylmethyl]-1,2,4-oxadiazole is O=S(=O)(Cc1ccc(F)cc1)Cc1noc(C2CCC2)n1.
What is the InChIKey of 5-cyclobutyl-3-[(4-fluorophenyl)methylsulfonylmethyl]-1,2,4-oxadiazole?
The InChIKey is WEQWZFXZAHQVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c15-12-6-4-10(5-7-12)8-21(18,19)9-13-16-14(20-17-13)11-2-1-3-11/h4-7,11H,1-3,8-9H2.
What are the key properties of 5-cyclobutyl-3-[(4-fluorophenyl)methylsulfonylmethyl]-1,2,4-oxadiazole?
5-cyclobutyl-3-[(4-fluorophenyl)methylsulfonylmethyl]-1,2,4-oxadiazole has a molecular weight of 310.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-3-[(4-fluorophenyl)methylsulfonylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 2742631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).