4-[[4-[4-(4-fluorophenyl)-5-pyrimidin-4-ylimidazol-1-yl]piperidin-1-yl]methyl]-1,3-oxazole

C22H21FN6O — CID 67104542

IUPAC4-[[4-[4-(4-fluorophenyl)-5-pyrimidin-4-ylimidazol-1-yl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESFc1ccc(-c2ncn(C3CCN(Cc4cocn4)CC3)c2-c2ccncn2)cc1
InChIInChI=1S/C22H21FN6O/c23-17-3-1-16(2-4-17)21-22(20-5-8-24-13-25-20)29(14-26-21)19-6-9-28(10-7-19)11-18-12-30-15-27-18/h1-5,8,12-15,19H,6-7,9-11H2
InChIKeyVPUMJDPXZBBQJL-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.97
Rot. Bonds5

About 4-[[4-[4-(4-fluorophenyl)-5-pyrimidin-4-ylimidazol-1-yl]piperidin-1-yl]methyl]-1,3-oxazole

4-[[4-[4-(4-fluorophenyl)-5-pyrimidin-4-ylimidazol-1-yl]piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 67104542) has the molecular formula C22H21FN6O and a molecular weight of 404.45 g/mol. Its IUPAC name is 4-[[4-[4-(4-fluorophenyl)-5-pyrimidin-4-ylimidazol-1-yl]piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-[4-(4-fluorophenyl)-5-pyrimidin-4-ylimidazol-1-yl]piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID67104542
Molecular FormulaC22H21FN6O
Molecular Weight404.45 g/mol
Exact Mass404.18
IUPAC Name4-[[4-[4-(4-fluorophenyl)-5-pyrimidin-4-ylimidazol-1-yl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESFc1ccc(-c2ncn(C3CCN(Cc4cocn4)CC3)c2-c2ccncn2)cc1
InChIInChI=1S/C22H21FN6O/c23-17-3-1-16(2-4-17)21-22(20-5-8-24-13-25-20)29(14-26-21)19-6-9-28(10-7-19)11-18-12-30-15-27-18/h1-5,8,12-15,19H,6-7,9-11H2
InChIKeyVPUMJDPXZBBQJL-UHFFFAOYSA-N
XLogP3.97
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(4-fluorophenyl)-5-pyrimidin-4-ylimidazol-1-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 4-[[4-[4-(4-fluorophenyl)-5-pyrimidin-4-ylimidazol-1-yl]piperidin-1-yl]methyl]-1,3-oxazole (CID 67104542) is 4-[[4-[4-(4-fluorophenyl)-5-pyrimidin-4-ylimidazol-1-yl]piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 4-[[4-[4-(4-fluorophenyl)-5-pyrimidin-4-ylimidazol-1-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 4-[[4-[4-(4-fluorophenyl)-5-pyrimidin-4-ylimidazol-1-yl]piperidin-1-yl]methyl]-1,3-oxazole is Fc1ccc(-c2ncn(C3CCN(Cc4cocn4)CC3)c2-c2ccncn2)cc1.
What is the InChIKey of 4-[[4-[4-(4-fluorophenyl)-5-pyrimidin-4-ylimidazol-1-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is VPUMJDPXZBBQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O/c23-17-3-1-16(2-4-17)21-22(20-5-8-24-13-25-20)29(14-26-21)19-6-9-28(10-7-19)11-18-12-30-15-27-18/h1-5,8,12-15,19H,6-7,9-11H2.
What are the key properties of 4-[[4-[4-(4-fluorophenyl)-5-pyrimidin-4-ylimidazol-1-yl]piperidin-1-yl]methyl]-1,3-oxazole?
4-[[4-[4-(4-fluorophenyl)-5-pyrimidin-4-ylimidazol-1-yl]piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 404.45 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(4-fluorophenyl)-5-pyrimidin-4-ylimidazol-1-yl]piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 67104542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).