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

C24H28FN5O2 — CID 24782554

IUPAC2-fluoro-N-[2-methyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCc1cc(-c2nnc(NCCCN3CCCCC3)o2)ccc1NC(=O)c1ccccc1F
InChIInChI=1S/C24H28FN5O2/c1-17-16-18(10-11-21(17)27-22(31)19-8-3-4-9-20(19)25)23-28-29-24(32-23)26-12-7-15-30-13-5-2-6-14-30/h3-4,8-11,16H,2,5-7,12-15H2,1H3,(H,26,29)(H,27,31)
InChIKeyYMXQLZMDAPPYKA-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.72
Rot. Bonds8

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

2-fluoro-N-[2-methyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 24782554) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 2-fluoro-N-[2-methyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-methyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
PubChem CID24782554
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name2-fluoro-N-[2-methyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCc1cc(-c2nnc(NCCCN3CCCCC3)o2)ccc1NC(=O)c1ccccc1F
InChIInChI=1S/C24H28FN5O2/c1-17-16-18(10-11-21(17)27-22(31)19-8-3-4-9-20(19)25)23-28-29-24(32-23)26-12-7-15-30-13-5-2-6-14-30/h3-4,8-11,16H,2,5-7,12-15H2,1H3,(H,26,29)(H,27,31)
InChIKeyYMXQLZMDAPPYKA-UHFFFAOYSA-N
XLogP4.72
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.72
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-[2-methyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-methyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 24782554) is 2-fluoro-N-[2-methyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-methyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-methyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is Cc1cc(-c2nnc(NCCCN3CCCCC3)o2)ccc1NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-methyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The InChIKey is YMXQLZMDAPPYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-17-16-18(10-11-21(17)27-22(31)19-8-3-4-9-20(19)25)23-28-29-24(32-23)26-12-7-15-30-13-5-2-6-14-30/h3-4,8-11,16H,2,5-7,12-15H2,1H3,(H,26,29)(H,27,31).
What are the key properties of 2-fluoro-N-[2-methyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
2-fluoro-N-[2-methyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 437.52 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-methyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 24782554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).