benzyl 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate

C17H13FN2O3S — CID 644475

IUPACbenzyl 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESO=C(CSc1nnc(-c2ccccc2F)o1)OCc1ccccc1
InChIInChI=1S/C17H13FN2O3S/c18-14-9-5-4-8-13(14)16-19-20-17(23-16)24-11-15(21)22-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyHKDBPJQAVBFZOS-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.71
Rot. Bonds6

About benzyl 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate

benzyl 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (PubChem CID 644475) has the molecular formula C17H13FN2O3S and a molecular weight of 344.37 g/mol. Its IUPAC name is benzyl 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.

Molecular Properties

Compound Namebenzyl 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
PubChem CID644475
Molecular FormulaC17H13FN2O3S
Molecular Weight344.37 g/mol
Exact Mass344.06
IUPAC Namebenzyl 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
SMILESO=C(CSc1nnc(-c2ccccc2F)o1)OCc1ccccc1
InChIInChI=1S/C17H13FN2O3S/c18-14-9-5-4-8-13(14)16-19-20-17(23-16)24-11-15(21)22-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyHKDBPJQAVBFZOS-UHFFFAOYSA-N
XLogP3.71
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze benzyl 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The IUPAC name of benzyl 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate (CID 644475) is benzyl 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate.
What is the SMILES notation for benzyl 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The canonical SMILES for benzyl 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is O=C(CSc1nnc(-c2ccccc2F)o1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
The InChIKey is HKDBPJQAVBFZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3S/c18-14-9-5-4-8-13(14)16-19-20-17(23-16)24-11-15(21)22-10-12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of benzyl 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate?
benzyl 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate has a molecular weight of 344.37 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate is sourced from PubChem (CID 644475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).