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

C16H10Cl2FN3O2S — CID 1323533

IUPAC2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(F)cc1
InChIInChI=1S/C16H10Cl2FN3O2S/c17-9-1-6-12(13(18)7-9)15-21-22-16(24-15)25-8-14(23)20-11-4-2-10(19)3-5-11/h1-7H,8H2,(H,20,23)
InChIKeyLBKUFSNMRRKETL-UHFFFAOYSA-N
MW398.25 g/mol
LogP4.91
Rot. Bonds5

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

2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide (PubChem CID 1323533) has the molecular formula C16H10Cl2FN3O2S and a molecular weight of 398.25 g/mol. Its IUPAC name is 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
PubChem CID1323533
Molecular FormulaC16H10Cl2FN3O2S
Molecular Weight398.25 g/mol
Exact Mass396.99
IUPAC Name2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(F)cc1
InChIInChI=1S/C16H10Cl2FN3O2S/c17-9-1-6-12(13(18)7-9)15-21-22-16(24-15)25-8-14(23)20-11-4-2-10(19)3-5-11/h1-7H,8H2,(H,20,23)
InChIKeyLBKUFSNMRRKETL-UHFFFAOYSA-N
XLogP4.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 1300425
2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
CID 2966728
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-quinolin-2-one
CID 712681
N-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)acetamide
CID 776426
N-(2-fluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 835162
N-(2-fluorophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 891159
2-{[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
CID 1253074
2-[(4-chlorobenzyl)sulfanyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 1930455
Dimethyl 2-[({[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)amino]terephthalate
CID 2219307
[2-(3,5-Dichloroanilino)-2-oxoethyl] 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 2401855
N-(4-fluorophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2595601
N-(4-iodophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2614317

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide (CID 1323533) is 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide is O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide?
The InChIKey is LBKUFSNMRRKETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FN3O2S/c17-9-1-6-12(13(18)7-9)15-21-22-16(24-15)25-8-14(23)20-11-4-2-10(19)3-5-11/h1-7H,8H2,(H,20,23).
What are the key properties of 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide?
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide has a molecular weight of 398.25 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 1323533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).