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

C23H25F2N5O2 — CID 24782802

IUPAC2-fluoro-N-[3-fluoro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)c(F)c1)c1ccccc1F
InChIInChI=1S/C23H25F2N5O2/c24-19-8-3-2-7-17(19)21(31)27-16-9-10-18(20(25)15-16)22-28-29-23(32-22)26-11-6-14-30-12-4-1-5-13-30/h2-3,7-10,15H,1,4-6,11-14H2,(H,26,29)(H,27,31)
InChIKeyNCQMWVKUWZGXIY-UHFFFAOYSA-N
MW441.48 g/mol
LogP4.55
Rot. Bonds8

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

2-fluoro-N-[3-fluoro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 24782802) has the molecular formula C23H25F2N5O2 and a molecular weight of 441.48 g/mol. Its IUPAC name is 2-fluoro-N-[3-fluoro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-fluoro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
PubChem CID24782802
Molecular FormulaC23H25F2N5O2
Molecular Weight441.48 g/mol
Exact Mass441.20
IUPAC Name2-fluoro-N-[3-fluoro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)c(F)c1)c1ccccc1F
InChIInChI=1S/C23H25F2N5O2/c24-19-8-3-2-7-17(19)21(31)27-16-9-10-18(20(25)15-16)22-28-29-23(32-22)26-11-6-14-30-12-4-1-5-13-30/h2-3,7-10,15H,1,4-6,11-14H2,(H,26,29)(H,27,31)
InChIKeyNCQMWVKUWZGXIY-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
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-[3-fluoro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-fluoro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 24782802) is 2-fluoro-N-[3-fluoro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-fluoro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-fluoro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is O=C(Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)c(F)c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[3-fluoro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The InChIKey is NCQMWVKUWZGXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O2/c24-19-8-3-2-7-17(19)21(31)27-16-9-10-18(20(25)15-16)22-28-29-23(32-22)26-11-6-14-30-12-4-1-5-13-30/h2-3,7-10,15H,1,4-6,11-14H2,(H,26,29)(H,27,31).
What are the key properties of 2-fluoro-N-[3-fluoro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
2-fluoro-N-[3-fluoro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 441.48 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-fluoro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 24782802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).