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

C16H11ClFN3O2S — CID 7444350

IUPACN-(2-chlorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccc2F)o1)Nc1ccccc1Cl
InChIInChI=1S/C16H11ClFN3O2S/c17-11-6-2-4-8-13(11)19-14(22)9-24-16-21-20-15(23-16)10-5-1-3-7-12(10)18/h1-8H,9H2,(H,19,22)
InChIKeyWCBLJWOQOIZDDY-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.26
Rot. Bonds5

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

N-(2-chlorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 7444350) has the molecular formula C16H11ClFN3O2S and a molecular weight of 363.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID7444350
Molecular FormulaC16H11ClFN3O2S
Molecular Weight363.80 g/mol
Exact Mass363.02
IUPAC NameN-(2-chlorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccccc2F)o1)Nc1ccccc1Cl
InChIInChI=1S/C16H11ClFN3O2S/c17-11-6-2-4-8-13(11)19-14(22)9-24-16-21-20-15(23-16)10-5-1-3-7-12(10)18/h1-8H,9H2,(H,19,22)
InChIKeyWCBLJWOQOIZDDY-UHFFFAOYSA-N
XLogP4.26
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-Dimethyl-phenyl)-2-(5-o-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 655365
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-m-Tolyl-2-(5-o-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 645555
N-(2,3-Dimethyl-phenyl)-2-(5-o-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 656184
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
N-(4-bromophenyl)-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)acetamide
CID 1112655
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
[2-(3,5-Dichloroanilino)-2-oxoethyl] 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 2401855

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 7444350) is N-(2-chlorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(-c2ccccc2F)o1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is WCBLJWOQOIZDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O2S/c17-11-6-2-4-8-13(11)19-14(22)9-24-16-21-20-15(23-16)10-5-1-3-7-12(10)18/h1-8H,9H2,(H,19,22).
What are the key properties of N-(2-chlorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(2-chlorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 363.80 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 7444350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).