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

C10H9FN2O2S — CID 66085611

IUPAC[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(CSc2ccccc2F)no1
InChIInChI=1S/C10H9FN2O2S/c11-7-3-1-2-4-8(7)16-6-9-12-10(5-14)15-13-9/h1-4,14H,5-6H2
InChIKeyVCIYPGZQYUGNSU-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.99
Rot. Bonds4

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

[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 66085611) has the molecular formula C10H9FN2O2S and a molecular weight of 240.26 g/mol. Its IUPAC name is [3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanol
PubChem CID66085611
Molecular FormulaC10H9FN2O2S
Molecular Weight240.26 g/mol
Exact Mass240.04
IUPAC Name[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanol
SMILESOCc1nc(CSc2ccccc2F)no1
InChIInChI=1S/C10H9FN2O2S/c11-7-3-1-2-4-8(7)16-6-9-12-10(5-14)15-13-9/h1-4,14H,5-6H2
InChIKeyVCIYPGZQYUGNSU-UHFFFAOYSA-N
XLogP1.99
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanol (CID 66085611) is [3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanol is OCc1nc(CSc2ccccc2F)no1.
What is the InChIKey of [3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is VCIYPGZQYUGNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2S/c11-7-3-1-2-4-8(7)16-6-9-12-10(5-14)15-13-9/h1-4,14H,5-6H2.
What are the key properties of [3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanol?
[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 240.26 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 66085611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).