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

C11H9FN2O3S — CID 29065718

IUPAC2-[[5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
SMILESO=C(O)CSc1nnc(Cc2cccc(F)c2)o1
InChIInChI=1S/C11H9FN2O3S/c12-8-3-1-2-7(4-8)5-9-13-14-11(17-9)18-6-10(15)16/h1-4H,5-6H2,(H,15,16)
InChIKeyZTBPOINHTIAAMP-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.98
Rot. Bonds5

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

2-[[5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid (PubChem CID 29065718) has the molecular formula C11H9FN2O3S and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[[5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
PubChem CID29065718
Molecular FormulaC11H9FN2O3S
Molecular Weight268.27 g/mol
Exact Mass268.03
IUPAC Name2-[[5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
SMILESO=C(O)CSc1nnc(Cc2cccc(F)c2)o1
InChIInChI=1S/C11H9FN2O3S/c12-8-3-1-2-7(4-8)5-9-13-14-11(17-9)18-6-10(15)16/h1-4H,5-6H2,(H,15,16)
InChIKeyZTBPOINHTIAAMP-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 859864
2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 9484318
ethyl 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
CID 53265037
2,6-difluoro-N-[[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502466
4-fluoro-N-[[5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502338
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 3943131
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(3-chlorophenyl)methyl]acetamide
CID 7420135
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone
CID 854782
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
CID 7994747
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 2941372
2-[[5-(4-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 113400037
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 7994614

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The IUPAC name of 2-[[5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid (CID 29065718) is 2-[[5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid is O=C(O)CSc1nnc(Cc2cccc(F)c2)o1.
What is the InChIKey of 2-[[5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The InChIKey is ZTBPOINHTIAAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3S/c12-8-3-1-2-7(4-8)5-9-13-14-11(17-9)18-6-10(15)16/h1-4H,5-6H2,(H,15,16).
What are the key properties of 2-[[5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
2-[[5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-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-[[5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid is sourced from PubChem (CID 29065718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).