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

C23H25FN4O2 — CID 95099466

IUPAC2-(4-fluorophenyl)-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N[C@@H](Cc1ccccc1)c1nnc(N2CCCCC2)o1
InChIInChI=1S/C23H25FN4O2/c24-19-11-9-18(10-12-19)16-21(29)25-20(15-17-7-3-1-4-8-17)22-26-27-23(30-22)28-13-5-2-6-14-28/h1,3-4,7-12,20H,2,5-6,13-16H2,(H,25,29)/t20-/m0/s1
InChIKeyGADNSGYIIISJMR-FQEVSTJZSA-N
MW408.48 g/mol
LogP3.84
Rot. Bonds7

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

2-(4-fluorophenyl)-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide (PubChem CID 95099466) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
PubChem CID95099466
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name2-(4-fluorophenyl)-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N[C@@H](Cc1ccccc1)c1nnc(N2CCCCC2)o1
InChIInChI=1S/C23H25FN4O2/c24-19-11-9-18(10-12-19)16-21(29)25-20(15-17-7-3-1-4-8-17)22-26-27-23(30-22)28-13-5-2-6-14-28/h1,3-4,7-12,20H,2,5-6,13-16H2,(H,25,29)/t20-/m0/s1
InChIKeyGADNSGYIIISJMR-FQEVSTJZSA-N
XLogP3.84
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide (CID 95099466) is 2-(4-fluorophenyl)-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide is O=C(Cc1ccc(F)cc1)N[C@@H](Cc1ccccc1)c1nnc(N2CCCCC2)o1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The InChIKey is GADNSGYIIISJMR-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-19-11-9-18(10-12-19)16-21(29)25-20(15-17-7-3-1-4-8-17)22-26-27-23(30-22)28-13-5-2-6-14-28/h1,3-4,7-12,20H,2,5-6,13-16H2,(H,25,29)/t20-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
2-(4-fluorophenyl)-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide has a molecular weight of 408.48 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 95099466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).