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

C22H20F2N6O2 — CID 57433755

IUPAC1-[4-[[4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4F)nc4occn34)n2)CC1
InChIInChI=1S/C22H20F2N6O2/c1-13(31)29-8-5-15(6-9-29)26-21-25-7-4-18(27-21)20-19(28-22-30(20)10-11-32-22)16-3-2-14(23)12-17(16)24/h2-4,7,10-12,15H,5-6,8-9H2,1H3,(H,25,26,27)
InChIKeyALCHVNBRIJQYSJ-UHFFFAOYSA-N
MW438.44 g/mol
LogP3.75
Rot. Bonds4

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

1-[4-[[4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone (PubChem CID 57433755) has the molecular formula C22H20F2N6O2 and a molecular weight of 438.44 g/mol. Its IUPAC name is 1-[4-[[4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
PubChem CID57433755
Molecular FormulaC22H20F2N6O2
Molecular Weight438.44 g/mol
Exact Mass438.16
IUPAC Name1-[4-[[4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4F)nc4occn34)n2)CC1
InChIInChI=1S/C22H20F2N6O2/c1-13(31)29-8-5-15(6-9-29)26-21-25-7-4-18(27-21)20-19(28-22-30(20)10-11-32-22)16-3-2-14(23)12-17(16)24/h2-4,7,10-12,15H,5-6,8-9H2,1H3,(H,25,26,27)
InChIKeyALCHVNBRIJQYSJ-UHFFFAOYSA-N
XLogP3.75
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone (CID 57433755) is 1-[4-[[4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4F)nc4occn34)n2)CC1.
What is the InChIKey of 1-[4-[[4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is ALCHVNBRIJQYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N6O2/c1-13(31)29-8-5-15(6-9-29)26-21-25-7-4-18(27-21)20-19(28-22-30(20)10-11-32-22)16-3-2-14(23)12-17(16)24/h2-4,7,10-12,15H,5-6,8-9H2,1H3,(H,25,26,27).
What are the key properties of 1-[4-[[4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 438.44 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 57433755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).