2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyrimidin-2-yl-1,3-oxazole

C26H25FN4O — CID 54760511

IUPAC2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyrimidin-2-yl-1,3-oxazole
SMILESFc1ccc(-c2nc(-c3ncccn3)c(C3CCN(CCc4ccccc4)CC3)o2)cc1
InChIInChI=1S/C26H25FN4O/c27-22-9-7-21(8-10-22)26-30-23(25-28-14-4-15-29-25)24(32-26)20-12-17-31(18-13-20)16-11-19-5-2-1-3-6-19/h1-10,14-15,20H,11-13,16-18H2
InChIKeyULSJKZIHGJPJNY-UHFFFAOYSA-N
MW428.51 g/mol
LogP5.36
Rot. Bonds6

About 2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyrimidin-2-yl-1,3-oxazole

2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyrimidin-2-yl-1,3-oxazole (PubChem CID 54760511) has the molecular formula C26H25FN4O and a molecular weight of 428.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyrimidin-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyrimidin-2-yl-1,3-oxazole
PubChem CID54760511
Molecular FormulaC26H25FN4O
Molecular Weight428.51 g/mol
Exact Mass428.20
IUPAC Name2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyrimidin-2-yl-1,3-oxazole
SMILESFc1ccc(-c2nc(-c3ncccn3)c(C3CCN(CCc4ccccc4)CC3)o2)cc1
InChIInChI=1S/C26H25FN4O/c27-22-9-7-21(8-10-22)26-30-23(25-28-14-4-15-29-25)24(32-26)20-12-17-31(18-13-20)16-11-19-5-2-1-3-6-19/h1-10,14-15,20H,11-13,16-18H2
InChIKeyULSJKZIHGJPJNY-UHFFFAOYSA-N
XLogP5.36
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyrimidin-2-yl-1,3-oxazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyrimidin-2-yl-1,3-oxazole (CID 54760511) is 2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyrimidin-2-yl-1,3-oxazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyrimidin-2-yl-1,3-oxazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyrimidin-2-yl-1,3-oxazole is Fc1ccc(-c2nc(-c3ncccn3)c(C3CCN(CCc4ccccc4)CC3)o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyrimidin-2-yl-1,3-oxazole?
The InChIKey is ULSJKZIHGJPJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O/c27-22-9-7-21(8-10-22)26-30-23(25-28-14-4-15-29-25)24(32-26)20-12-17-31(18-13-20)16-11-19-5-2-1-3-6-19/h1-10,14-15,20H,11-13,16-18H2.
What are the key properties of 2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyrimidin-2-yl-1,3-oxazole?
2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyrimidin-2-yl-1,3-oxazole has a molecular weight of 428.51 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]-4-pyrimidin-2-yl-1,3-oxazole is sourced from PubChem (CID 54760511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).