N-[(4-fluorophenyl)methyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C20H15FN4O2S — CID 168866588

IUPACN-[(4-fluorophenyl)methyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc3ncccc3c2)o1)NCc1ccc(F)cc1
InChIInChI=1S/C20H15FN4O2S/c21-16-6-3-13(4-7-16)11-23-18(26)12-28-20-25-24-19(27-20)15-5-8-17-14(10-15)2-1-9-22-17/h1-10H,11-12H2,(H,23,26)
InChIKeyLGCQIDMPGKHWRY-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.83
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-[(4-fluorophenyl)methyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 168866588) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID168866588
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc3ncccc3c2)o1)NCc1ccc(F)cc1
InChIInChI=1S/C20H15FN4O2S/c21-16-6-3-13(4-7-16)11-23-18(26)12-28-20-25-24-19(27-20)15-5-8-17-14(10-15)2-1-9-22-17/h1-10H,11-12H2,(H,23,26)
InChIKeyLGCQIDMPGKHWRY-UHFFFAOYSA-N
XLogP3.83
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-fluorophenyl)methyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]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-[(4-fluorophenyl)methyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 168866588) is N-[(4-fluorophenyl)methyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2ccc3ncccc3c2)o1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is LGCQIDMPGKHWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c21-16-6-3-13(4-7-16)11-23-18(26)12-28-20-25-24-19(27-20)15-5-8-17-14(10-15)2-1-9-22-17/h1-10H,11-12H2,(H,23,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 394.43 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 168866588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).