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

C25H30FN5O2 — CID 24782800

IUPACN-[2-ethyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide
SMILESCCc1cc(-c2nnc(NCCCN3CCCCC3)o2)ccc1NC(=O)c1ccccc1F
InChIInChI=1S/C25H30FN5O2/c1-2-18-17-19(11-12-22(18)28-23(32)20-9-4-5-10-21(20)26)24-29-30-25(33-24)27-13-8-16-31-14-6-3-7-15-31/h4-5,9-12,17H,2-3,6-8,13-16H2,1H3,(H,27,30)(H,28,32)
InChIKeyATRLPAHJWMKNBX-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.98
Rot. Bonds9

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

N-[2-ethyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide (PubChem CID 24782800) has the molecular formula C25H30FN5O2 and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[2-ethyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-ethyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide
PubChem CID24782800
Molecular FormulaC25H30FN5O2
Molecular Weight451.55 g/mol
Exact Mass451.24
IUPAC NameN-[2-ethyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide
SMILESCCc1cc(-c2nnc(NCCCN3CCCCC3)o2)ccc1NC(=O)c1ccccc1F
InChIInChI=1S/C25H30FN5O2/c1-2-18-17-19(11-12-22(18)28-23(32)20-9-4-5-10-21(20)26)24-29-30-25(33-24)27-13-8-16-31-14-6-3-7-15-31/h4-5,9-12,17H,2-3,6-8,13-16H2,1H3,(H,27,30)(H,28,32)
InChIKeyATRLPAHJWMKNBX-UHFFFAOYSA-N
XLogP4.98
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.98
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 N-[2-ethyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide?
The IUPAC name of N-[2-ethyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide (CID 24782800) is N-[2-ethyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-ethyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-ethyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide is CCc1cc(-c2nnc(NCCCN3CCCCC3)o2)ccc1NC(=O)c1ccccc1F.
What is the InChIKey of N-[2-ethyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide?
The InChIKey is ATRLPAHJWMKNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O2/c1-2-18-17-19(11-12-22(18)28-23(32)20-9-4-5-10-21(20)26)24-29-30-25(33-24)27-13-8-16-31-14-6-3-7-15-31/h4-5,9-12,17H,2-3,6-8,13-16H2,1H3,(H,27,30)(H,28,32).
What are the key properties of N-[2-ethyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide?
N-[2-ethyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide has a molecular weight of 451.55 g/mol, XLogP of 4.98, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide is sourced from PubChem (CID 24782800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).