1-(4-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

C16H9ClF3N3O2S — CID 2746578

IUPAC1-(4-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2ccc(C(F)(F)F)cn2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C16H9ClF3N3O2S/c17-11-4-1-9(2-5-11)13(24)8-26-15-23-22-14(25-15)12-6-3-10(7-21-12)16(18,19)20/h1-7H,8H2
InChIKeyHKAZDPMLDUHPSJ-UHFFFAOYSA-N
MW399.78 g/mol
LogP4.78
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

1-(4-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (PubChem CID 2746578) has the molecular formula C16H9ClF3N3O2S and a molecular weight of 399.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
PubChem CID2746578
Molecular FormulaC16H9ClF3N3O2S
Molecular Weight399.78 g/mol
Exact Mass399.01
IUPAC Name1-(4-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2ccc(C(F)(F)F)cn2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C16H9ClF3N3O2S/c17-11-4-1-9(2-5-11)13(24)8-26-15-23-22-14(25-15)12-6-3-10(7-21-12)16(18,19)20/h1-7H,8H2
InChIKeyHKAZDPMLDUHPSJ-UHFFFAOYSA-N
XLogP4.78
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.78
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone with MolForge

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Related Compounds

1-phenyl-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 2746579
N-(2-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2746573
1-(4-methylphenyl)-2-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 2767808
1-(4-chlorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 3874267
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone
CID 7907080
1-(4-tert-butylphenyl)-2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 6490166
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone
CID 854782
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3-fluorophenyl)ethanone
CID 8675663
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-cyclohexylphenyl)ethanone
CID 7907072
2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)ethanone
CID 33070510
2-(4-chlorophenyl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 55443484
2-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)ethanone
CID 25156620

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CID 2746578) is 1-(4-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is O=C(CSc1nnc(-c2ccc(C(F)(F)F)cn2)o1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is HKAZDPMLDUHPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3N3O2S/c17-11-4-1-9(2-5-11)13(24)8-26-15-23-22-14(25-15)12-6-3-10(7-21-12)16(18,19)20/h1-7H,8H2.
What are the key properties of 1-(4-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
1-(4-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 399.78 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 2746578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).