2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)phenyl]benzamide

C24H25F4N5O2 — CID 24782804

About 2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)phenyl]benzamide

2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 24782804) has the molecular formula C24H25F4N5O2 and a molecular weight of 491.49 g/mol. Its IUPAC name is 2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 24782804
• Molecular Formula: C24H25F4N5O2
• Molecular Weight: 491.49 g/mol
• Exact Mass: 491.19
• IUPAC Name: 2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)phenyl]benzamide
• SMILES: O=C(Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)c(C(F)(F)F)c1)c1ccccc1F
• InChI: InChI=1S/C24H25F4N5O2/c25-20-8-3-2-7-18(20)21(34)30-16-9-10-17(19(15-16)24(26,27)28)22-31-32-23(35-22)29-11-6-14-33-12-4-1-5-13-33/h2-3,7-10,15H,1,4-6,11-14H2,(H,29,32)(H,30,34)
• InChIKey: KVDQWUVURWICGP-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 83.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.49
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of 2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)phenyl]benzamide (CID 24782804) is 2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for 2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for 2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)c(C(F)(F)F)c1)c1ccccc1F.

What is the InChIKey of 2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)phenyl]benzamide?

The InChIKey is KVDQWUVURWICGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F4N5O2/c25-20-8-3-2-7-18(20)21(34)30-16-9-10-17(19(15-16)24(26,27)28)22-31-32-23(35-22)29-11-6-14-33-12-4-1-5-13-33/h2-3,7-10,15H,1,4-6,11-14H2,(H,29,32)(H,30,34).

What are the key properties of 2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)phenyl]benzamide?

2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 491.49 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 24782804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).