N-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(pentafluoro-λ6-sulfanyl)benzamide

C15H9F6N3O2S — CID 164839624

IUPACN-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(pentafluoro-λ6-sulfanyl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2F)o1)c1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C15H9F6N3O2S/c16-12-4-2-1-3-11(12)14-23-24-15(26-14)22-13(25)9-5-7-10(8-6-9)27(17,18,19,20)21/h1-8H,(H,22,24,25)
InChIKeyIZTYRZOTTSDRMT-UHFFFAOYSA-N
MW409.31 g/mol
LogP5.79
Rot. Bonds4

About N-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(pentafluoro-λ6-sulfanyl)benzamide

N-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(pentafluoro-λ6-sulfanyl)benzamide (PubChem CID 164839624) has the molecular formula C15H9F6N3O2S and a molecular weight of 409.31 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(pentafluoro-λ6-sulfanyl)benzamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(pentafluoro-λ6-sulfanyl)benzamide
PubChem CID164839624
Molecular FormulaC15H9F6N3O2S
Molecular Weight409.31 g/mol
Exact Mass409.03
IUPAC NameN-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(pentafluoro-λ6-sulfanyl)benzamide
SMILESO=C(Nc1nnc(-c2ccccc2F)o1)c1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C15H9F6N3O2S/c16-12-4-2-1-3-11(12)14-23-24-15(26-14)22-13(25)9-5-7-10(8-6-9)27(17,18,19,20)21/h1-8H,(H,22,24,25)
InChIKeyIZTYRZOTTSDRMT-UHFFFAOYSA-N
XLogP5.79
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.31
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972074
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide
CID 164839508
4-fluoro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686401
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 43972075
methyl 4-[[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 7577907
4-chloro-N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134909786
2-fluoro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7577911
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide
CID 164839507
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide
CID 164839580
4-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4986401
N-[5-(2-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686399
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 4638672

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(pentafluoro-λ6-sulfanyl)benzamide?
The IUPAC name of N-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(pentafluoro-λ6-sulfanyl)benzamide (CID 164839624) is N-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(pentafluoro-λ6-sulfanyl)benzamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(pentafluoro-λ6-sulfanyl)benzamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(pentafluoro-λ6-sulfanyl)benzamide is O=C(Nc1nnc(-c2ccccc2F)o1)c1ccc(S(F)(F)(F)(F)F)cc1.
What is the InChIKey of N-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(pentafluoro-λ6-sulfanyl)benzamide?
The InChIKey is IZTYRZOTTSDRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N3O2S/c16-12-4-2-1-3-11(12)14-23-24-15(26-14)22-13(25)9-5-7-10(8-6-9)27(17,18,19,20)21/h1-8H,(H,22,24,25).
What are the key properties of N-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(pentafluoro-λ6-sulfanyl)benzamide?
N-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(pentafluoro-λ6-sulfanyl)benzamide has a molecular weight of 409.31 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(pentafluoro-λ6-sulfanyl)benzamide is sourced from PubChem (CID 164839624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).