N-[2-(furan-2-yl)ethyl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide

C19H18F3N3O3 — CID 26397444

IUPACN-[2-(furan-2-yl)ethyl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1)NCCc1ccco1
InChIInChI=1S/C19H18F3N3O3/c20-19(21,22)14-4-1-3-13(11-14)12-18-25-24-17(28-18)7-6-16(26)23-9-8-15-5-2-10-27-15/h1-5,10-11H,6-9,12H2,(H,23,26)
InChIKeyXZVVEGRRLGFYQB-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.56
Rot. Bonds8

About N-[2-(furan-2-yl)ethyl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide

N-[2-(furan-2-yl)ethyl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 26397444) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID26397444
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC NameN-[2-(furan-2-yl)ethyl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1)NCCc1ccco1
InChIInChI=1S/C19H18F3N3O3/c20-19(21,22)14-4-1-3-13(11-14)12-18-25-24-17(28-18)7-6-16(26)23-9-8-15-5-2-10-27-15/h1-5,10-11H,6-9,12H2,(H,23,26)
InChIKeyXZVVEGRRLGFYQB-UHFFFAOYSA-N
XLogP3.56
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide (CID 26397444) is N-[2-(furan-2-yl)ethyl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide is O=C(CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1)NCCc1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is XZVVEGRRLGFYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c20-19(21,22)14-4-1-3-13(11-14)12-18-25-24-17(28-18)7-6-16(26)23-9-8-15-5-2-10-27-15/h1-5,10-11H,6-9,12H2,(H,23,26).
What are the key properties of N-[2-(furan-2-yl)ethyl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide?
N-[2-(furan-2-yl)ethyl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 393.37 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 26397444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).