3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide

C19H16F3N3O2S — CID 46420007

IUPAC3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
SMILESO=C(CCc1nnc(-c2ccccc2)o1)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C19H16F3N3O2S/c20-19(21,22)12-28-15-9-5-4-8-14(15)23-16(26)10-11-17-24-25-18(27-17)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,23,26)
InChIKeyAOXJHRXOSIJSCM-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.96
Rot. Bonds7

About 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide (PubChem CID 46420007) has the molecular formula C19H16F3N3O2S and a molecular weight of 407.42 g/mol. Its IUPAC name is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
PubChem CID46420007
Molecular FormulaC19H16F3N3O2S
Molecular Weight407.42 g/mol
Exact Mass407.09
IUPAC Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
SMILESO=C(CCc1nnc(-c2ccccc2)o1)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C19H16F3N3O2S/c20-19(21,22)12-28-15-9-5-4-8-14(15)23-16(26)10-11-17-24-25-18(27-17)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,23,26)
InChIKeyAOXJHRXOSIJSCM-UHFFFAOYSA-N
XLogP4.96
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide
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CID 79192003
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N-(2-methylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide?
The IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide (CID 46420007) is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide.
What is the SMILES notation for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide?
The canonical SMILES for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide is O=C(CCc1nnc(-c2ccccc2)o1)Nc1ccccc1SCC(F)(F)F.
What is the InChIKey of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide?
The InChIKey is AOXJHRXOSIJSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2S/c20-19(21,22)12-28-15-9-5-4-8-14(15)23-16(26)10-11-17-24-25-18(27-17)13-6-2-1-3-7-13/h1-9H,10-12H2,(H,23,26).
What are the key properties of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide?
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide has a molecular weight of 407.42 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]propanamide is sourced from PubChem (CID 46420007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).