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

C23H27ClFN5O2 — CID 24785596

IUPAC2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)cc1)c1ccccc1F
InChIInChI=1S/C23H26FN5O2.ClH/c24-20-8-3-2-7-19(20)21(30)26-18-11-9-17(10-12-18)22-27-28-23(31-22)25-13-6-16-29-14-4-1-5-15-29;/h2-3,7-12H,1,4-6,13-16H2,(H,25,28)(H,26,30);1H
InChIKeySCLATTMNTANWDO-UHFFFAOYSA-N
MW459.95 g/mol
LogP4.84
Rot. Bonds8

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

2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride (PubChem CID 24785596) has the molecular formula C23H27ClFN5O2 and a molecular weight of 459.95 g/mol. Its IUPAC name is 2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride
PubChem CID24785596
Molecular FormulaC23H27ClFN5O2
Molecular Weight459.95 g/mol
Exact Mass459.18
IUPAC Name2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride
SMILESCl.O=C(Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)cc1)c1ccccc1F
InChIInChI=1S/C23H26FN5O2.ClH/c24-20-8-3-2-7-19(20)21(30)26-18-11-9-17(10-12-18)22-27-28-23(31-22)25-13-6-16-29-14-4-1-5-15-29;/h2-3,7-12H,1,4-6,13-16H2,(H,25,28)(H,26,30);1H
InChIKeySCLATTMNTANWDO-UHFFFAOYSA-N
XLogP4.84
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.95
LogP ≤ 54.84
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-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride?
The IUPAC name of 2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride (CID 24785596) is 2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride?
The canonical SMILES for 2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride is Cl.O=C(Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride?
The InChIKey is SCLATTMNTANWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2.ClH/c24-20-8-3-2-7-19(20)21(30)26-18-11-9-17(10-12-18)22-27-28-23(31-22)25-13-6-16-29-14-4-1-5-15-29;/h2-3,7-12H,1,4-6,13-16H2,(H,25,28)(H,26,30);1H.
What are the key properties of 2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride?
2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride has a molecular weight of 459.95 g/mol, XLogP of 4.84, 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-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 24785596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).