2-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid

C11H9FN2O3S — CID 62956165

IUPAC2-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
SMILESO=C(O)CSc1nc(Cc2ccccc2F)no1
InChIInChI=1S/C11H9FN2O3S/c12-8-4-2-1-3-7(8)5-9-13-11(17-14-9)18-6-10(15)16/h1-4H,5-6H2,(H,15,16)
InChIKeyVARMYCQUBSYOEW-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.98
Rot. Bonds5

About 2-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid

2-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid (PubChem CID 62956165) has the molecular formula C11H9FN2O3S and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
PubChem CID62956165
Molecular FormulaC11H9FN2O3S
Molecular Weight268.27 g/mol
Exact Mass268.03
IUPAC Name2-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
SMILESO=C(O)CSc1nc(Cc2ccccc2F)no1
InChIInChI=1S/C11H9FN2O3S/c12-8-4-2-1-3-7(8)5-9-13-11(17-14-9)18-6-10(15)16/h1-4H,5-6H2,(H,15,16)
InChIKeyVARMYCQUBSYOEW-UHFFFAOYSA-N
XLogP1.98
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid?
The IUPAC name of 2-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid (CID 62956165) is 2-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid is O=C(O)CSc1nc(Cc2ccccc2F)no1.
What is the InChIKey of 2-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid?
The InChIKey is VARMYCQUBSYOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3S/c12-8-4-2-1-3-7(8)5-9-13-11(17-14-9)18-6-10(15)16/h1-4H,5-6H2,(H,15,16).
What are the key properties of 2-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid?
2-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid has a molecular weight of 268.27 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid is sourced from PubChem (CID 62956165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).