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

C23H23FN6O3 — CID 57433679

IUPAC1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1
InChIInChI=1S/C23H23FN6O3/c1-32-14-19(31)29-10-7-17(8-11-29)26-22-25-9-6-18(27-22)21-20(15-2-4-16(24)5-3-15)28-23-30(21)12-13-33-23/h2-6,9,12-13,17H,7-8,10-11,14H2,1H3,(H,25,26,27)
InChIKeyGKXXZYYJFSTZKQ-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.24
Rot. Bonds6

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

1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-2-methoxyethanone (PubChem CID 57433679) has the molecular formula C23H23FN6O3 and a molecular weight of 450.47 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]-2-methoxyethanone.

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]-2-methoxyethanone
PubChem CID57433679
Molecular FormulaC23H23FN6O3
Molecular Weight450.47 g/mol
Exact Mass450.18
IUPAC Name1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1
InChIInChI=1S/C23H23FN6O3/c1-32-14-19(31)29-10-7-17(8-11-29)26-22-25-9-6-18(27-22)21-20(15-2-4-16(24)5-3-15)28-23-30(21)12-13-33-23/h2-6,9,12-13,17H,7-8,10-11,14H2,1H3,(H,25,26,27)
InChIKeyGKXXZYYJFSTZKQ-UHFFFAOYSA-N
XLogP3.24
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]-2-methoxyethanone?
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]-2-methoxyethanone (CID 57433679) is 1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-2-methoxyethanone.
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]-2-methoxyethanone?
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]-2-methoxyethanone is COCC(=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]-2-methoxyethanone?
The InChIKey is GKXXZYYJFSTZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O3/c1-32-14-19(31)29-10-7-17(8-11-29)26-22-25-9-6-18(27-22)21-20(15-2-4-16(24)5-3-15)28-23-30(21)12-13-33-23/h2-6,9,12-13,17H,7-8,10-11,14H2,1H3,(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]-2-methoxyethanone?
1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 450.47 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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]-2-methoxyethanone is sourced from PubChem (CID 57433679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).