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

C15H9F6N3O2S — CID 164839580

IUPACN-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide
SMILESO=C(Nc1nnc(-c2cccc(F)c2)o1)c1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C15H9F6N3O2S/c16-11-5-1-4-10(7-11)14-23-24-15(26-14)22-13(25)9-3-2-6-12(8-9)27(17,18,19,20)21/h1-8H,(H,22,24,25)
InChIKeyXGMIKZUJTOWPDH-UHFFFAOYSA-N
MW409.31 g/mol
LogP5.79
Rot. Bonds4

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

N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide (PubChem CID 164839580) has the molecular formula C15H9F6N3O2S and a molecular weight of 409.31 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide
PubChem CID164839580
Molecular FormulaC15H9F6N3O2S
Molecular Weight409.31 g/mol
Exact Mass409.03
IUPAC NameN-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide
SMILESO=C(Nc1nnc(-c2cccc(F)c2)o1)c1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C15H9F6N3O2S/c16-11-5-1-4-10(7-11)14-23-24-15(26-14)22-13(25)9-3-2-6-12(8-9)27(17,18,19,20)21/h1-8H,(H,22,24,25)
InChIKeyXGMIKZUJTOWPDH-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-methylbenzamide
CID 43971804
3-bromo-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43971814
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide
CID 43971837
3,5-dichloro-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972024
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide
CID 164839508
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 43971757
N-[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
CID 42110849
4-fluoro-N-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686369
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 16854802
N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 170341324
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
CID 7533241

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide?
The IUPAC name of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide (CID 164839580) is N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide is O=C(Nc1nnc(-c2cccc(F)c2)o1)c1cccc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide?
The InChIKey is XGMIKZUJTOWPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N3O2S/c16-11-5-1-4-10(7-11)14-23-24-15(26-14)22-13(25)9-3-2-6-12(8-9)27(17,18,19,20)21/h1-8H,(H,22,24,25).
What are the key properties of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide?
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(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-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide is sourced from PubChem (CID 164839580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).