N-(2,3-dihydro-1H-inden-5-yl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide

C21H18F3N3O2 — CID 16588213

About N-(2,3-dihydro-1H-inden-5-yl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide

N-(2,3-dihydro-1H-inden-5-yl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 16588213) has the molecular formula C21H18F3N3O2 and a molecular weight of 401.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1H-inden-5-yl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide
• PubChem CID: 16588213
• Molecular Formula: C21H18F3N3O2
• Molecular Weight: 401.39 g/mol
• Exact Mass: 401.14
• IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide
• SMILES: O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)o1)Nc1ccc2c(c1)CCC2
• InChI: InChI=1S/C21H18F3N3O2/c22-21(23,24)16-6-2-5-15(11-16)20-27-26-19(29-20)10-9-18(28)25-17-8-7-13-3-1-4-14(13)12-17/h2,5-8,11-12H,1,3-4,9-10H2,(H,25,28)
• InChIKey: FEVAYWXBGDHKHV-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.39
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide?

The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide (CID 16588213) is N-(2,3-dihydro-1H-inden-5-yl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide.

What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide?

The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide is O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)o1)Nc1ccc2c(c1)CCC2.

What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide?

The InChIKey is FEVAYWXBGDHKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O2/c22-21(23,24)16-6-2-5-15(11-16)20-27-26-19(29-20)10-9-18(28)25-17-8-7-13-3-1-4-14(13)12-17/h2,5-8,11-12H,1,3-4,9-10H2,(H,25,28).

What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide?

N-(2,3-dihydro-1H-inden-5-yl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 401.39 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1H-inden-5-yl)-3-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 16588213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).