N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide

C16H9F4N3O2S — CID 155235641

IUPACN-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1nnc(-c2cccc(F)c2)o1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C16H9F4N3O2S/c17-11-3-1-2-10(8-11)14-22-23-15(25-14)21-13(24)9-4-6-12(7-5-9)26-16(18,19)20/h1-8H,(H,21,23,24)
InChIKeyCUANKLNJANYWFO-UHFFFAOYSA-N
MW383.33 g/mol
LogP4.74
Rot. Bonds4

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

N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 155235641) has the molecular formula C16H9F4N3O2S and a molecular weight of 383.33 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide
PubChem CID155235641
Molecular FormulaC16H9F4N3O2S
Molecular Weight383.33 g/mol
Exact Mass383.04
IUPAC NameN-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1nnc(-c2cccc(F)c2)o1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C16H9F4N3O2S/c17-11-3-1-2-10(8-11)14-22-23-15(25-14)21-13(24)9-4-6-12(7-5-9)26-16(18,19)20/h1-8H,(H,21,23,24)
InChIKeyCUANKLNJANYWFO-UHFFFAOYSA-N
XLogP4.74
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide (CID 155235641) is N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide is O=C(Nc1nnc(-c2cccc(F)c2)o1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is CUANKLNJANYWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4N3O2S/c17-11-3-1-2-10(8-11)14-22-23-15(25-14)21-13(24)9-4-6-12(7-5-9)26-16(18,19)20/h1-8H,(H,21,23,24).
What are the key properties of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide?
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 383.33 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 155235641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).