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

C24H28FN5O3 — CID 23624283

IUPAC2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1
InChIInChI=1S/C24H28FN5O3/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)
InChIKeyHXNBYYPGRZHDKJ-UHFFFAOYSA-N
MW453.52 g/mol
LogP4.42
Rot. Bonds9

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

2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 23624283) has the molecular formula C24H28FN5O3 and a molecular weight of 453.52 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.

Molecular Properties

Compound Name2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
PubChem CID23624283
Molecular FormulaC24H28FN5O3
Molecular Weight453.52 g/mol
Exact Mass453.22
IUPAC Name2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1
InChIInChI=1S/C24H28FN5O3/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)
InChIKeyHXNBYYPGRZHDKJ-UHFFFAOYSA-N
XLogP4.42
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride
CID 23624282
2-Fluoro-N-[4-(5-{[3-(4-fluoro-1-piperidinyl)propyl]amino}-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 24782303
2-fluoro-N-[4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 24782306
N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 24782550
2-fluoro-N-[3-methyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 24782553
2-fluoro-N-[3-fluoro-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 24782802
N-[3-ethyl-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluorobenzamide
CID 24782803
2-fluoro-N-[4-[5-(4-piperidin-1-ylbutylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 24782805
2-fluoro-N-[3-methoxy-4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride
CID 24785332
2-fluoro-N-[3-methoxy-4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 24785333
2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide;hydrochloride
CID 24785596
2-fluoro-N-[4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 24785597

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?
The IUPAC name of 2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 23624283) is 2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.
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?
The canonical SMILES for 2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is COc1cc(NC(=O)c2ccccc2F)ccc1-c1nnc(NCCCN2CCCCC2)o1.
What is the InChIKey of 2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The InChIKey is HXNBYYPGRZHDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O3/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).
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?
2-fluoro-N-[3-methoxy-4-[5-(3-piperidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 453.52 g/mol, XLogP of 4.42, 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 is sourced from PubChem (CID 23624283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).