N-(2-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]acetamide

C17H13F2N3O2S — CID 2545810

IUPACN-(2-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]acetamide
SMILESO=C(CSCc1nnc(-c2ccc(F)cc2)o1)Nc1ccccc1F
InChIInChI=1S/C17H13F2N3O2S/c18-12-7-5-11(6-8-12)17-22-21-16(24-17)10-25-9-15(23)20-14-4-2-1-3-13(14)19/h1-8H,9-10H2,(H,20,23)
InChIKeyOXGZOBXKBBVXHX-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.89
Rot. Bonds6

About N-(2-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]acetamide

N-(2-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]acetamide (PubChem CID 2545810) has the molecular formula C17H13F2N3O2S and a molecular weight of 361.37 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]acetamide
PubChem CID2545810
Molecular FormulaC17H13F2N3O2S
Molecular Weight361.37 g/mol
Exact Mass361.07
IUPAC NameN-(2-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]acetamide
SMILESO=C(CSCc1nnc(-c2ccc(F)cc2)o1)Nc1ccccc1F
InChIInChI=1S/C17H13F2N3O2S/c18-12-7-5-11(6-8-12)17-22-21-16(24-17)10-25-9-15(23)20-14-4-2-1-3-13(14)19/h1-8H,9-10H2,(H,20,23)
InChIKeyOXGZOBXKBBVXHX-UHFFFAOYSA-N
XLogP3.89
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]acetamide 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 N-(2-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]acetamide (CID 2545810) is N-(2-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]acetamide is O=C(CSCc1nnc(-c2ccc(F)cc2)o1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]acetamide?
The InChIKey is OXGZOBXKBBVXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O2S/c18-12-7-5-11(6-8-12)17-22-21-16(24-17)10-25-9-15(23)20-14-4-2-1-3-13(14)19/h1-8H,9-10H2,(H,20,23).
What are the key properties of N-(2-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]acetamide?
N-(2-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]acetamide has a molecular weight of 361.37 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 2545810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).