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

C17H18F3N3O3 — CID 133200584

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

N-(oxolan-2-ylmethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 133200584) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

• Compound Name: N-(oxolan-2-ylmethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
• PubChem CID: 133200584
• Molecular Formula: C17H18F3N3O3
• Molecular Weight: 369.34 g/mol
• Exact Mass: 369.13
• IUPAC Name: N-(oxolan-2-ylmethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
• SMILES: O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)NCC1CCCO1
• InChI: InChI=1S/C17H18F3N3O3/c18-17(19,20)12-4-1-3-11(9-12)16-22-15(26-23-16)7-6-14(24)21-10-13-5-2-8-25-13/h1,3-4,9,13H,2,5-8,10H2,(H,21,24)
• InChIKey: VFBCMRXHBGAQGV-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.34
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(oxolan-2-ylmethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide (CID 133200584) is N-(oxolan-2-ylmethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide.

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

The canonical SMILES for N-(oxolan-2-ylmethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide is O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)NCC1CCCO1.

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

The InChIKey is VFBCMRXHBGAQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c18-17(19,20)12-4-1-3-11(9-12)16-22-15(26-23-16)7-6-14(24)21-10-13-5-2-8-25-13/h1,3-4,9,13H,2,5-8,10H2,(H,21,24).

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

N-(oxolan-2-ylmethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 369.34 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(oxolan-2-ylmethyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 133200584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).