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

C25H27FN6O2 — CID 57433683

IUPAC1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1
InChIInChI=1S/C25H27FN6O2/c1-16(2)15-21(33)31-11-8-19(9-12-31)28-24-27-10-7-20(29-24)23-22(17-3-5-18(26)6-4-17)30-25-32(23)13-14-34-25/h3-7,10,13-14,16,19H,8-9,11-12,15H2,1-2H3,(H,27,28,29)
InChIKeyWEFODLNYZUFBAX-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.64
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]-3-methylbutan-1-one

1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one (PubChem CID 57433683) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 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]-3-methylbutan-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]-3-methylbutan-1-one
PubChem CID57433683
Molecular FormulaC25H27FN6O2
Molecular Weight462.53 g/mol
Exact Mass462.22
IUPAC Name1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1
InChIInChI=1S/C25H27FN6O2/c1-16(2)15-21(33)31-11-8-19(9-12-31)28-24-27-10-7-20(29-24)23-22(17-3-5-18(26)6-4-17)30-25-32(23)13-14-34-25/h3-7,10,13-14,16,19H,8-9,11-12,15H2,1-2H3,(H,27,28,29)
InChIKeyWEFODLNYZUFBAX-UHFFFAOYSA-N
XLogP4.64
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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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]-3-methylbutan-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]-3-methylbutan-1-one (CID 57433683) is 1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-3-methylbutan-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]-3-methylbutan-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]-3-methylbutan-1-one is CC(C)CC(=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]-3-methylbutan-1-one?
The InChIKey is WEFODLNYZUFBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O2/c1-16(2)15-21(33)31-11-8-19(9-12-31)28-24-27-10-7-20(29-24)23-22(17-3-5-18(26)6-4-17)30-25-32(23)13-14-34-25/h3-7,10,13-14,16,19H,8-9,11-12,15H2,1-2H3,(H,27,28,29).
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]-3-methylbutan-1-one?
1-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-3-methylbutan-1-one has a molecular weight of 462.53 g/mol, XLogP of 4.64, 6 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]-3-methylbutan-1-one is sourced from PubChem (CID 57433683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).