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

C14H15FN2O2S — CID 66065535

IUPAC2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
SMILESOC1CCCC1c1nc(CSc2ccc(F)cc2)no1
InChIInChI=1S/C14H15FN2O2S/c15-9-4-6-10(7-5-9)20-8-13-16-14(19-17-13)11-2-1-3-12(11)18/h4-7,11-12,18H,1-3,8H2
InChIKeyLHVNIHJWORLOQY-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.13
Rot. Bonds4

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

2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol (PubChem CID 66065535) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
PubChem CID66065535
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
SMILESOC1CCCC1c1nc(CSc2ccc(F)cc2)no1
InChIInChI=1S/C14H15FN2O2S/c15-9-4-6-10(7-5-9)20-8-13-16-14(19-17-13)11-2-1-3-12(11)18/h4-7,11-12,18H,1-3,8H2
InChIKeyLHVNIHJWORLOQY-UHFFFAOYSA-N
XLogP3.13
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The IUPAC name of 2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol (CID 66065535) is 2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol is OC1CCCC1c1nc(CSc2ccc(F)cc2)no1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
The InChIKey is LHVNIHJWORLOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c15-9-4-6-10(7-5-9)20-8-13-16-14(19-17-13)11-2-1-3-12(11)18/h4-7,11-12,18H,1-3,8H2.
What are the key properties of 2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol?
2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol has a molecular weight of 294.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol is sourced from PubChem (CID 66065535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).