2-fluoro-N-[4-[5-[3-(4-fluoropiperidin-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]benzamide

C23H25F2N5O2 — CID 24782303

IUPAC2-fluoro-N-[4-[5-[3-(4-fluoropiperidin-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nnc(NCCCN3CCC(F)CC3)o2)cc1)c1ccccc1F
InChIInChI=1S/C23H25F2N5O2/c24-17-10-14-30(15-11-17)13-3-12-26-23-29-28-22(32-23)16-6-8-18(9-7-16)27-21(31)19-4-1-2-5-20(19)25/h1-2,4-9,17H,3,10-15H2,(H,26,29)(H,27,31)
InChIKeyXLBYUGKZWZMFEL-UHFFFAOYSA-N
MW441.48 g/mol
LogP4.36
Rot. Bonds8

About 2-fluoro-N-[4-[5-[3-(4-fluoropiperidin-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]benzamide

2-fluoro-N-[4-[5-[3-(4-fluoropiperidin-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 24782303) has the molecular formula C23H25F2N5O2 and a molecular weight of 441.48 g/mol. Its IUPAC name is 2-fluoro-N-[4-[5-[3-(4-fluoropiperidin-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[5-[3-(4-fluoropiperidin-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]benzamide
PubChem CID24782303
Molecular FormulaC23H25F2N5O2
Molecular Weight441.48 g/mol
Exact Mass441.20
IUPAC Name2-fluoro-N-[4-[5-[3-(4-fluoropiperidin-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nnc(NCCCN3CCC(F)CC3)o2)cc1)c1ccccc1F
InChIInChI=1S/C23H25F2N5O2/c24-17-10-14-30(15-11-17)13-3-12-26-23-29-28-22(32-23)16-6-8-18(9-7-16)27-21(31)19-4-1-2-5-20(19)25/h1-2,4-9,17H,3,10-15H2,(H,26,29)(H,27,31)
InChIKeyXLBYUGKZWZMFEL-UHFFFAOYSA-N
XLogP4.36
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[5-[3-(4-fluoropiperidin-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[5-[3-(4-fluoropiperidin-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 24782303) is 2-fluoro-N-[4-[5-[3-(4-fluoropiperidin-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[5-[3-(4-fluoropiperidin-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[5-[3-(4-fluoropiperidin-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]benzamide is O=C(Nc1ccc(-c2nnc(NCCCN3CCC(F)CC3)o2)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-[5-[3-(4-fluoropiperidin-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The InChIKey is XLBYUGKZWZMFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O2/c24-17-10-14-30(15-11-17)13-3-12-26-23-29-28-22(32-23)16-6-8-18(9-7-16)27-21(31)19-4-1-2-5-20(19)25/h1-2,4-9,17H,3,10-15H2,(H,26,29)(H,27,31).
What are the key properties of 2-fluoro-N-[4-[5-[3-(4-fluoropiperidin-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
2-fluoro-N-[4-[5-[3-(4-fluoropiperidin-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 441.48 g/mol, XLogP of 4.36, 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-(4-fluoropiperidin-1-yl)propylamino]-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 24782303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).