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

C23H23FN6O2 — CID 57433687

IUPAC1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1
InChIInChI=1S/C23H23FN6O2/c1-2-19(31)29-11-8-17(9-12-29)26-22-25-10-7-18(27-22)21-20(15-3-5-16(24)6-4-15)28-23-30(21)13-14-32-23/h3-7,10,13-14,17H,2,8-9,11-12H2,1H3,(H,25,26,27)
InChIKeyGZHWCFZDKLRPJD-UHFFFAOYSA-N
MW434.48 g/mol
LogP4.00
Rot. Bonds5

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

1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one (PubChem CID 57433687) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one
PubChem CID57433687
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1
InChIInChI=1S/C23H23FN6O2/c1-2-19(31)29-11-8-17(9-12-29)26-22-25-10-7-18(27-22)21-20(15-3-5-16(24)6-4-15)28-23-30(21)13-14-32-23/h3-7,10,13-14,17H,2,8-9,11-12H2,1H3,(H,25,26,27)
InChIKeyGZHWCFZDKLRPJD-UHFFFAOYSA-N
XLogP4.00
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one (CID 57433687) is 1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1.
What is the InChIKey of 1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one?
The InChIKey is GZHWCFZDKLRPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-2-19(31)29-11-8-17(9-12-29)26-22-25-10-7-18(27-22)21-20(15-3-5-16(24)6-4-15)28-23-30(21)13-14-32-23/h3-7,10,13-14,17H,2,8-9,11-12H2,1H3,(H,25,26,27).
What are the key properties of 1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one?
1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one has a molecular weight of 434.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 57433687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).