2-(3-fluorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole

C18H18FN5O — CID 34180165

IUPAC2-(3-fluorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESFc1cccc(-c2nc(CN3CCN(c4ncccn4)CC3)co2)c1
InChIInChI=1S/C18H18FN5O/c19-15-4-1-3-14(11-15)17-22-16(13-25-17)12-23-7-9-24(10-8-23)18-20-5-2-6-21-18/h1-6,11,13H,7-10,12H2
InChIKeyLYCJQKHRXARLPE-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.59
Rot. Bonds4

About 2-(3-fluorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole

2-(3-fluorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 34180165) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID34180165
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name2-(3-fluorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESFc1cccc(-c2nc(CN3CCN(c4ncccn4)CC3)co2)c1
InChIInChI=1S/C18H18FN5O/c19-15-4-1-3-14(11-15)17-22-16(13-25-17)12-23-7-9-24(10-8-23)18-20-5-2-6-21-18/h1-6,11,13H,7-10,12H2
InChIKeyLYCJQKHRXARLPE-UHFFFAOYSA-N
XLogP2.59
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(3-fluorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole (CID 34180165) is 2-(3-fluorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(3-fluorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(3-fluorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole is Fc1cccc(-c2nc(CN3CCN(c4ncccn4)CC3)co2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is LYCJQKHRXARLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-15-4-1-3-14(11-15)17-22-16(13-25-17)12-23-7-9-24(10-8-23)18-20-5-2-6-21-18/h1-6,11,13H,7-10,12H2.
What are the key properties of 2-(3-fluorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole?
2-(3-fluorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole has a molecular weight of 339.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 34180165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).