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

C21H20F2N4O2 — CID 53159662

IUPAC3,5-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESO=C(NC(c1ccccc1)c1nnc(N2CCCCC2)o1)c1cc(F)cc(F)c1
InChIInChI=1S/C21H20F2N4O2/c22-16-11-15(12-17(23)13-16)19(28)24-18(14-7-3-1-4-8-14)20-25-26-21(29-20)27-9-5-2-6-10-27/h1,3-4,7-8,11-13,18H,2,5-6,9-10H2,(H,24,28)
InChIKeyHSTCSVYKAUMVFR-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.86
Rot. Bonds5

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

3,5-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 53159662) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is 3,5-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID53159662
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC Name3,5-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESO=C(NC(c1ccccc1)c1nnc(N2CCCCC2)o1)c1cc(F)cc(F)c1
InChIInChI=1S/C21H20F2N4O2/c22-16-11-15(12-17(23)13-16)19(28)24-18(14-7-3-1-4-8-14)20-25-26-21(29-20)27-9-5-2-6-10-27/h1,3-4,7-8,11-13,18H,2,5-6,9-10H2,(H,24,28)
InChIKeyHSTCSVYKAUMVFR-UHFFFAOYSA-N
XLogP3.86
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159657
3,5-dimethyl-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159600
2,5-difluoro-N-[(R)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 95099906
2,5-difluoro-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 95099799
N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 95099783
4-bromo-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 95099739
4-(dimethylamino)-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159586
2-methyl-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159686
2,4-dimethyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 95099897
2-bromo-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159583
2-(2-fluorophenyl)-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 53159671
N-[(R)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclobutanecarboxamide
CID 95099882

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 53159662) is 3,5-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is O=C(NC(c1ccccc1)c1nnc(N2CCCCC2)o1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is HSTCSVYKAUMVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c22-16-11-15(12-17(23)13-16)19(28)24-18(14-7-3-1-4-8-14)20-25-26-21(29-20)27-9-5-2-6-10-27/h1,3-4,7-8,11-13,18H,2,5-6,9-10H2,(H,24,28).
What are the key properties of 3,5-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
3,5-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 398.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 53159662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).