4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol

C12H11FN2O2S — CID 83201040

IUPAC4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
SMILESOC1CSCC1c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C12H11FN2O2S/c13-8-3-1-2-7(4-8)11-14-12(17-15-11)9-5-18-6-10(9)16/h1-4,9-10,16H,5-6H2
InChIKeyIZHXHQVXVNRBEL-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.07
Rot. Bonds2

About 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol

4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol (PubChem CID 83201040) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol.

Molecular Properties

Compound Name4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
PubChem CID83201040
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
SMILESOC1CSCC1c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C12H11FN2O2S/c13-8-3-1-2-7(4-8)11-14-12(17-15-11)9-5-18-6-10(9)16/h1-4,9-10,16H,5-6H2
InChIKeyIZHXHQVXVNRBEL-UHFFFAOYSA-N
XLogP2.07
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201685
4-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)thiolan-3-ol
CID 83191804
4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201298
4-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83200794
3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
3-(3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 22248505
4-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 106850005
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 63348552
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopent-2-en-1-amine
CID 79216876
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
CID 83201148
4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201694
4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83201224

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol?
The IUPAC name of 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol (CID 83201040) is 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol.
What is the SMILES notation for 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol?
The canonical SMILES for 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol is OC1CSCC1c1nc(-c2cccc(F)c2)no1.
What is the InChIKey of 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol?
The InChIKey is IZHXHQVXVNRBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-8-3-1-2-7(4-8)11-14-12(17-15-11)9-5-18-6-10(9)16/h1-4,9-10,16H,5-6H2.
What are the key properties of 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol?
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol has a molecular weight of 266.30 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol is sourced from PubChem (CID 83201040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).