2-(4-fluorophenyl)-5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole

C17H18FN5O — CID 24734047

IUPAC2-(4-fluorophenyl)-5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(C3CCN(Cc4ncc[nH]4)CC3)o2)cc1
InChIInChI=1S/C17H18FN5O/c18-14-3-1-12(2-4-14)16-21-22-17(24-16)13-5-9-23(10-6-13)11-15-19-7-8-20-15/h1-4,7-8,13H,5-6,9-11H2,(H,19,20)
InChIKeyAUHHVKAIBZJMJU-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.98
Rot. Bonds4

About 2-(4-fluorophenyl)-5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole

2-(4-fluorophenyl)-5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole (PubChem CID 24734047) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole
PubChem CID24734047
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name2-(4-fluorophenyl)-5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(C3CCN(Cc4ncc[nH]4)CC3)o2)cc1
InChIInChI=1S/C17H18FN5O/c18-14-3-1-12(2-4-14)16-21-22-17(24-16)13-5-9-23(10-6-13)11-15-19-7-8-20-15/h1-4,7-8,13H,5-6,9-11H2,(H,19,20)
InChIKeyAUHHVKAIBZJMJU-UHFFFAOYSA-N
XLogP2.98
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole (CID 24734047) is 2-(4-fluorophenyl)-5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole is Fc1ccc(-c2nnc(C3CCN(Cc4ncc[nH]4)CC3)o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole?
The InChIKey is AUHHVKAIBZJMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c18-14-3-1-12(2-4-14)16-21-22-17(24-16)13-5-9-23(10-6-13)11-15-19-7-8-20-15/h1-4,7-8,13H,5-6,9-11H2,(H,19,20).
What are the key properties of 2-(4-fluorophenyl)-5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole has a molecular weight of 327.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 24734047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).