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

C27H22F2N6O2 — CID 57433684

IUPAC(4-fluorophenyl)-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1
InChIInChI=1S/C27H22F2N6O2/c28-19-5-1-17(2-6-19)23-24(35-15-16-37-27(35)33-23)22-9-12-30-26(32-22)31-21-10-13-34(14-11-21)25(36)18-3-7-20(29)8-4-18/h1-9,12,15-16,21H,10-11,13-14H2,(H,30,31,32)
InChIKeyOLXILSSXCSRBHF-UHFFFAOYSA-N
MW500.51 g/mol
LogP5.05
Rot. Bonds5

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

(4-fluorophenyl)-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone (PubChem CID 57433684) has the molecular formula C27H22F2N6O2 and a molecular weight of 500.51 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
PubChem CID57433684
Molecular FormulaC27H22F2N6O2
Molecular Weight500.51 g/mol
Exact Mass500.18
IUPAC Name(4-fluorophenyl)-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1
InChIInChI=1S/C27H22F2N6O2/c28-19-5-1-17(2-6-19)23-24(35-15-16-37-27(35)33-23)22-9-12-30-26(32-22)31-21-10-13-34(14-11-21)25(36)18-3-7-20(29)8-4-18/h1-9,12,15-16,21H,10-11,13-14H2,(H,30,31,32)
InChIKeyOLXILSSXCSRBHF-UHFFFAOYSA-N
XLogP5.05
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.51
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-fluorophenyl)-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone 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 (4-fluorophenyl)-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone (CID 57433684) is (4-fluorophenyl)-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
The InChIKey is OLXILSSXCSRBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F2N6O2/c28-19-5-1-17(2-6-19)23-24(35-15-16-37-27(35)33-23)22-9-12-30-26(32-22)31-21-10-13-34(14-11-21)25(36)18-3-7-20(29)8-4-18/h1-9,12,15-16,21H,10-11,13-14H2,(H,30,31,32).
What are the key properties of (4-fluorophenyl)-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone?
(4-fluorophenyl)-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone has a molecular weight of 500.51 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 57433684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).