4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]-N-pyrimidin-4-ylpyrimidin-2-amine

C22H20FN7O — CID 155540794

IUPAC4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]-N-pyrimidin-4-ylpyrimidin-2-amine
SMILESFc1ccc(-c2nc(C3CCNCC3)oc2-c2ccnc(Nc3ccncn3)n2)cc1
InChIInChI=1S/C22H20FN7O/c23-16-3-1-14(2-4-16)19-20(31-21(30-19)15-5-9-24-10-6-15)17-7-12-26-22(28-17)29-18-8-11-25-13-27-18/h1-4,7-8,11-13,15,24H,5-6,9-10H2,(H,25,26,27,28,29)
InChIKeyJPQSRIJOLBUUTP-UHFFFAOYSA-N
MW417.45 g/mol
LogP3.94
Rot. Bonds5

About 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]-N-pyrimidin-4-ylpyrimidin-2-amine

4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]-N-pyrimidin-4-ylpyrimidin-2-amine (PubChem CID 155540794) has the molecular formula C22H20FN7O and a molecular weight of 417.45 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]-N-pyrimidin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]-N-pyrimidin-4-ylpyrimidin-2-amine
PubChem CID155540794
Molecular FormulaC22H20FN7O
Molecular Weight417.45 g/mol
Exact Mass417.17
IUPAC Name4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]-N-pyrimidin-4-ylpyrimidin-2-amine
SMILESFc1ccc(-c2nc(C3CCNCC3)oc2-c2ccnc(Nc3ccncn3)n2)cc1
InChIInChI=1S/C22H20FN7O/c23-16-3-1-14(2-4-16)19-20(31-21(30-19)15-5-9-24-10-6-15)17-7-12-26-22(28-17)29-18-8-11-25-13-27-18/h1-4,7-8,11-13,15,24H,5-6,9-10H2,(H,25,26,27,28,29)
InChIKeyJPQSRIJOLBUUTP-UHFFFAOYSA-N
XLogP3.94
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]-N-pyrimidin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]-N-pyrimidin-4-ylpyrimidin-2-amine (CID 155540794) is 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]-N-pyrimidin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]-N-pyrimidin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]-N-pyrimidin-4-ylpyrimidin-2-amine is Fc1ccc(-c2nc(C3CCNCC3)oc2-c2ccnc(Nc3ccncn3)n2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]-N-pyrimidin-4-ylpyrimidin-2-amine?
The InChIKey is JPQSRIJOLBUUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O/c23-16-3-1-14(2-4-16)19-20(31-21(30-19)15-5-9-24-10-6-15)17-7-12-26-22(28-17)29-18-8-11-25-13-27-18/h1-4,7-8,11-13,15,24H,5-6,9-10H2,(H,25,26,27,28,29).
What are the key properties of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]-N-pyrimidin-4-ylpyrimidin-2-amine?
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]-N-pyrimidin-4-ylpyrimidin-2-amine has a molecular weight of 417.45 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]-N-pyrimidin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 155540794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).