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

C25H26FN7O3 — CID 57463070

IUPAC[(3R)-3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCC[C@@H](Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)C1
InChIInChI=1S/C25H26FN7O3/c26-18-5-3-17(4-6-18)21-22(33-12-15-36-24(33)30-21)20-7-8-27-23(29-20)28-19-2-1-9-32(16-19)25(34)31-10-13-35-14-11-31/h3-8,12,15,19H,1-2,9-11,13-14,16H2,(H,27,28,29)/t19-/m1/s1
InChIKeyCZSNKVVPIVKIKM-LJQANCHMSA-N
MW491.53 g/mol
LogP3.52
Rot. Bonds4

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

[(3R)-3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 57463070) has the molecular formula C25H26FN7O3 and a molecular weight of 491.53 g/mol. Its IUPAC name is [(3R)-3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID57463070
Molecular FormulaC25H26FN7O3
Molecular Weight491.53 g/mol
Exact Mass491.21
IUPAC Name[(3R)-3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCC[C@@H](Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)C1
InChIInChI=1S/C25H26FN7O3/c26-18-5-3-17(4-6-18)21-22(33-12-15-36-24(33)30-21)20-7-8-27-23(29-20)28-19-2-1-9-32(16-19)25(34)31-10-13-35-14-11-31/h3-8,12,15,19H,1-2,9-11,13-14,16H2,(H,27,28,29)/t19-/m1/s1
InChIKeyCZSNKVVPIVKIKM-LJQANCHMSA-N
XLogP3.52
TPSA101.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3R)-3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone (CID 57463070) is [(3R)-3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3R)-3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3R)-3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCC[C@@H](Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)C1.
What is the InChIKey of [(3R)-3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is CZSNKVVPIVKIKM-LJQANCHMSA-N. The full InChI is InChI=1S/C25H26FN7O3/c26-18-5-3-17(4-6-18)21-22(33-12-15-36-24(33)30-21)20-7-8-27-23(29-20)28-19-2-1-9-32(16-19)25(34)31-10-13-35-14-11-31/h3-8,12,15,19H,1-2,9-11,13-14,16H2,(H,27,28,29)/t19-/m1/s1.
What are the key properties of [(3R)-3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone?
[(3R)-3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 491.53 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 57463070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).