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

C24H29ClFN5O3 — CID 23624282

IUPAC2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride
SMILESCOc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1.Cl
InChIInChI=1S/C24H28FN5O3.ClH/c1-32-21-16-17(27-22(31)18-8-3-4-9-20(18)25)10-11-19(21)23-28-29-24(33-23)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);1H
InChIKeyWPKGQDBGSPHZRU-UHFFFAOYSA-N
MW489.98 g/mol
LogP4.85
Rot. Bonds9

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

2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride (PubChem CID 23624282) has the molecular formula C24H29ClFN5O3 and a molecular weight of 489.98 g/mol. Its IUPAC name is 2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride
PubChem CID23624282
Molecular FormulaC24H29ClFN5O3
Molecular Weight489.98 g/mol
Exact Mass489.19
IUPAC Name2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride
SMILESCOc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1.Cl
InChIInChI=1S/C24H28FN5O3.ClH/c1-32-21-16-17(27-22(31)18-8-3-4-9-20(18)25)10-11-19(21)23-28-29-24(33-23)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);1H
InChIKeyWPKGQDBGSPHZRU-UHFFFAOYSA-N
XLogP4.85
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.98
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride?
The IUPAC name of 2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride (CID 23624282) is 2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride?
The canonical SMILES for 2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride is COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1.Cl.
What is the InChIKey of 2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride?
The InChIKey is WPKGQDBGSPHZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O3.ClH/c1-32-21-16-17(27-22(31)18-8-3-4-9-20(18)25)10-11-19(21)23-28-29-24(33-23)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);1H.
What are the key properties of 2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride?
2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride has a molecular weight of 489.98 g/mol, XLogP of 4.85, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 23624282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).