3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide

C19H17F3N4O3 — CID 42532193

About 3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide

3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide (PubChem CID 42532193) has the molecular formula C19H17F3N4O3 and a molecular weight of 406.36 g/mol. Its IUPAC name is 3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide
• PubChem CID: 42532193
• Molecular Formula: C19H17F3N4O3
• Molecular Weight: 406.36 g/mol
• Exact Mass: 406.13
• IUPAC Name: 3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide
• SMILES: O=C(CCc1nnc(COc2ccccc2)o1)N[C@H](c1ccccn1)C(F)(F)F
• InChI: InChI=1S/C19H17F3N4O3/c20-19(21,22)18(14-8-4-5-11-23-14)24-15(27)9-10-16-25-26-17(29-16)12-28-13-6-2-1-3-7-13/h1-8,11,18H,9-10,12H2,(H,24,27)/t18-/m1/s1
• InChIKey: CRAKDMFLTZJGGW-GOSISDBHSA-N
• XLogP: 3.40
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.36
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide?

The IUPAC name of 3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide (CID 42532193) is 3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide.

What is the SMILES notation for 3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide?

The canonical SMILES for 3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide is O=C(CCc1nnc(COc2ccccc2)o1)N[C@H](c1ccccn1)C(F)(F)F.

What is the InChIKey of 3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide?

The InChIKey is CRAKDMFLTZJGGW-GOSISDBHSA-N. The full InChI is InChI=1S/C19H17F3N4O3/c20-19(21,22)18(14-8-4-5-11-23-14)24-15(27)9-10-16-25-26-17(29-16)12-28-13-6-2-1-3-7-13/h1-8,11,18H,9-10,12H2,(H,24,27)/t18-/m1/s1.

What are the key properties of 3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide?

3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide has a molecular weight of 406.36 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide is sourced from PubChem (CID 42532193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).