2-(4-fluorophenyl)-1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone

C28H24F2N6O2 — CID 57433682

IUPAC2-(4-fluorophenyl)-1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1
InChIInChI=1S/C28H24F2N6O2/c29-20-5-1-18(2-6-20)17-24(37)35-13-10-22(11-14-35)32-27-31-12-9-23(33-27)26-25(19-3-7-21(30)8-4-19)34-28-36(26)15-16-38-28/h1-9,12,15-16,22H,10-11,13-14,17H2,(H,31,32,33)
InChIKeyILGZWLLOSLCUIN-UHFFFAOYSA-N
MW514.54 g/mol
LogP4.98
Rot. Bonds6

About 2-(4-fluorophenyl)-1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone

2-(4-fluorophenyl)-1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone (PubChem CID 57433682) has the molecular formula C28H24F2N6O2 and a molecular weight of 514.54 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
PubChem CID57433682
Molecular FormulaC28H24F2N6O2
Molecular Weight514.54 g/mol
Exact Mass514.19
IUPAC Name2-(4-fluorophenyl)-1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1
InChIInChI=1S/C28H24F2N6O2/c29-20-5-1-18(2-6-20)17-24(37)35-13-10-22(11-14-35)32-27-31-12-9-23(33-27)26-25(19-3-7-21(30)8-4-19)34-28-36(26)15-16-38-28/h1-9,12,15-16,22H,10-11,13-14,17H2,(H,31,32,33)
InChIKeyILGZWLLOSLCUIN-UHFFFAOYSA-N
XLogP4.98
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.54
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-fluorophenyl)-1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone (CID 57433682) is 2-(4-fluorophenyl)-1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is ILGZWLLOSLCUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2N6O2/c29-20-5-1-18(2-6-20)17-24(37)35-13-10-22(11-14-35)32-27-31-12-9-23(33-27)26-25(19-3-7-21(30)8-4-19)34-28-36(26)15-16-38-28/h1-9,12,15-16,22H,10-11,13-14,17H2,(H,31,32,33).
What are the key properties of 2-(4-fluorophenyl)-1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 514.54 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 57433682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).