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

C26H28FN7O2 — CID 57433678

IUPAC[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1
InChIInChI=1S/C26H28FN7O2/c27-19-3-1-17(2-4-19)22-23(34-15-16-36-26(34)32-22)21-7-12-29-25(31-21)30-20-8-13-33(14-9-20)24(35)18-5-10-28-11-6-18/h1-4,7,12,15-16,18,20,28H,5-6,8-11,13-14H2,(H,29,30,31)
InChIKeyKGBDNCXDSHXHDH-UHFFFAOYSA-N
MW489.56 g/mol
LogP3.59
Rot. Bonds5

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

[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-piperidin-4-ylmethanone (PubChem CID 57433678) has the molecular formula C26H28FN7O2 and a molecular weight of 489.56 g/mol. Its IUPAC name is [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-piperidin-4-ylmethanone
PubChem CID57433678
Molecular FormulaC26H28FN7O2
Molecular Weight489.56 g/mol
Exact Mass489.23
IUPAC Name[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1
InChIInChI=1S/C26H28FN7O2/c27-19-3-1-17(2-4-19)22-23(34-15-16-36-26(34)32-22)21-7-12-29-25(31-21)30-20-8-13-33(14-9-20)24(35)18-5-10-28-11-6-18/h1-4,7,12,15-16,18,20,28H,5-6,8-11,13-14H2,(H,29,30,31)
InChIKeyKGBDNCXDSHXHDH-UHFFFAOYSA-N
XLogP3.59
TPSA100.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-piperidin-4-ylmethanone?
The IUPAC name of [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-piperidin-4-ylmethanone (CID 57433678) is [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-piperidin-4-ylmethanone is O=C(C1CCNCC1)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1.
What is the InChIKey of [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-piperidin-4-ylmethanone?
The InChIKey is KGBDNCXDSHXHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O2/c27-19-3-1-17(2-4-19)22-23(34-15-16-36-26(34)32-22)21-7-12-29-25(31-21)30-20-8-13-33(14-9-20)24(35)18-5-10-28-11-6-18/h1-4,7,12,15-16,18,20,28H,5-6,8-11,13-14H2,(H,29,30,31).
What are the key properties of [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-piperidin-4-ylmethanone?
[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-piperidin-4-ylmethanone has a molecular weight of 489.56 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 57433678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).