3-(3-fluorophenyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole

C12H11FN2OS — CID 140890724

IUPAC3-(3-fluorophenyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole
SMILESFc1cccc(-c2noc(C3CCCS3)n2)c1
InChIInChI=1S/C12H11FN2OS/c13-9-4-1-3-8(7-9)11-14-12(16-15-11)10-5-2-6-17-10/h1,3-4,7,10H,2,5-6H2
InChIKeyBGSRWNWPURYWHW-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.44
Rot. Bonds2

About 3-(3-fluorophenyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole

3-(3-fluorophenyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole (PubChem CID 140890724) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole
PubChem CID140890724
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name3-(3-fluorophenyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole
SMILESFc1cccc(-c2noc(C3CCCS3)n2)c1
InChIInChI=1S/C12H11FN2OS/c13-9-4-1-3-8(7-9)11-14-12(16-15-11)10-5-2-6-17-10/h1,3-4,7,10H,2,5-6H2
InChIKeyBGSRWNWPURYWHW-UHFFFAOYSA-N
XLogP3.44
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-fluorophenyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole (CID 140890724) is 3-(3-fluorophenyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-fluorophenyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-fluorophenyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole is Fc1cccc(-c2noc(C3CCCS3)n2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole?
The InChIKey is BGSRWNWPURYWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c13-9-4-1-3-8(7-9)11-14-12(16-15-11)10-5-2-6-17-10/h1,3-4,7,10H,2,5-6H2.
What are the key properties of 3-(3-fluorophenyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole?
3-(3-fluorophenyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole has a molecular weight of 250.30 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 140890724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).