3-[[4-[4-(4-fluorophenyl)imidazol-1-yl]piperidin-1-yl]methyl]-1,2-oxazole

C18H19FN4O — CID 141298114

IUPAC3-[[4-[4-(4-fluorophenyl)imidazol-1-yl]piperidin-1-yl]methyl]-1,2-oxazole
SMILESFc1ccc(-c2cn(C3CCN(Cc4ccon4)CC3)cn2)cc1
InChIInChI=1S/C18H19FN4O/c19-15-3-1-14(2-4-15)18-12-23(13-20-18)17-5-8-22(9-6-17)11-16-7-10-24-21-16/h1-4,7,10,12-13,17H,5-6,8-9,11H2
InChIKeyZNFMLFPSZKAOPL-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.51
Rot. Bonds4

About 3-[[4-[4-(4-fluorophenyl)imidazol-1-yl]piperidin-1-yl]methyl]-1,2-oxazole

3-[[4-[4-(4-fluorophenyl)imidazol-1-yl]piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 141298114) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 3-[[4-[4-(4-fluorophenyl)imidazol-1-yl]piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[4-(4-fluorophenyl)imidazol-1-yl]piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID141298114
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name3-[[4-[4-(4-fluorophenyl)imidazol-1-yl]piperidin-1-yl]methyl]-1,2-oxazole
SMILESFc1ccc(-c2cn(C3CCN(Cc4ccon4)CC3)cn2)cc1
InChIInChI=1S/C18H19FN4O/c19-15-3-1-14(2-4-15)18-12-23(13-20-18)17-5-8-22(9-6-17)11-16-7-10-24-21-16/h1-4,7,10,12-13,17H,5-6,8-9,11H2
InChIKeyZNFMLFPSZKAOPL-UHFFFAOYSA-N
XLogP3.51
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-(4-fluorophenyl)imidazol-1-yl]piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-[[4-[4-(4-fluorophenyl)imidazol-1-yl]piperidin-1-yl]methyl]-1,2-oxazole (CID 141298114) is 3-[[4-[4-(4-fluorophenyl)imidazol-1-yl]piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-[[4-[4-(4-fluorophenyl)imidazol-1-yl]piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-[[4-[4-(4-fluorophenyl)imidazol-1-yl]piperidin-1-yl]methyl]-1,2-oxazole is Fc1ccc(-c2cn(C3CCN(Cc4ccon4)CC3)cn2)cc1.
What is the InChIKey of 3-[[4-[4-(4-fluorophenyl)imidazol-1-yl]piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is ZNFMLFPSZKAOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c19-15-3-1-14(2-4-15)18-12-23(13-20-18)17-5-8-22(9-6-17)11-16-7-10-24-21-16/h1-4,7,10,12-13,17H,5-6,8-9,11H2.
What are the key properties of 3-[[4-[4-(4-fluorophenyl)imidazol-1-yl]piperidin-1-yl]methyl]-1,2-oxazole?
3-[[4-[4-(4-fluorophenyl)imidazol-1-yl]piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 326.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[4-(4-fluorophenyl)imidazol-1-yl]piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 141298114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).