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

C22H23FN4O2 — CID 53159671

IUPAC2-(2-fluorophenyl)-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESO=C(Cc1ccccc1F)NC(c1ccccc1)c1nnc(N2CCCCC2)o1
InChIInChI=1S/C22H23FN4O2/c23-18-12-6-5-11-17(18)15-19(28)24-20(16-9-3-1-4-10-16)21-25-26-22(29-21)27-13-7-2-8-14-27/h1,3-6,9-12,20H,2,7-8,13-15H2,(H,24,28)
InChIKeyPUSAEILUKQSBRI-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.65
Rot. Bonds6

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

2-(2-fluorophenyl)-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 53159671) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
PubChem CID53159671
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name2-(2-fluorophenyl)-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESO=C(Cc1ccccc1F)NC(c1ccccc1)c1nnc(N2CCCCC2)o1
InChIInChI=1S/C22H23FN4O2/c23-18-12-6-5-11-17(18)15-19(28)24-20(16-9-3-1-4-10-16)21-25-26-22(29-21)27-13-7-2-8-14-27/h1,3-6,9-12,20H,2,7-8,13-15H2,(H,24,28)
InChIKeyPUSAEILUKQSBRI-UHFFFAOYSA-N
XLogP3.65
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 95099867
2-cyclohexyl-N-[(S)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 95099875
3,4-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159657
3,5-difluoro-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159662
2,5-difluoro-N-[(R)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 95099906
N-[(R)-phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclobutanecarboxamide
CID 95099882
2,5-difluoro-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 95099799
2-methyl-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159686
N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 95099783
2-bromo-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159583
4-bromo-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 95099739
3,5-dimethyl-N-[phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 53159600

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 53159671) is 2-(2-fluorophenyl)-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is O=C(Cc1ccccc1F)NC(c1ccccc1)c1nnc(N2CCCCC2)o1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The InChIKey is PUSAEILUKQSBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c23-18-12-6-5-11-17(18)15-19(28)24-20(16-9-3-1-4-10-16)21-25-26-22(29-21)27-13-7-2-8-14-27/h1,3-6,9-12,20H,2,7-8,13-15H2,(H,24,28).
What are the key properties of 2-(2-fluorophenyl)-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
2-(2-fluorophenyl)-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 394.45 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[phenyl-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 53159671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).