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

C21H22FN5O2 — CID 58541626

IUPAC6-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol
SMILESOCCCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1
InChIInChI=1S/C21H22FN5O2/c22-16-7-5-15(6-8-16)18-19(27-12-14-29-21(27)26-18)17-9-11-24-20(25-17)23-10-3-1-2-4-13-28/h5-9,11-12,14,28H,1-4,10,13H2,(H,23,24,25)
InChIKeyPCIYEYFQLZEXLS-UHFFFAOYSA-N
MW395.44 g/mol
LogP4.16
Rot. Bonds9

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

6-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol (PubChem CID 58541626) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is 6-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol
PubChem CID58541626
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name6-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol
SMILESOCCCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1
InChIInChI=1S/C21H22FN5O2/c22-16-7-5-15(6-8-16)18-19(27-12-14-29-21(27)26-18)17-9-11-24-20(25-17)23-10-3-1-2-4-13-28/h5-9,11-12,14,28H,1-4,10,13H2,(H,23,24,25)
InChIKeyPCIYEYFQLZEXLS-UHFFFAOYSA-N
XLogP4.16
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol 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 6-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol?
The IUPAC name of 6-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol (CID 58541626) is 6-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol?
The canonical SMILES for 6-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol is OCCCCCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1.
What is the InChIKey of 6-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol?
The InChIKey is PCIYEYFQLZEXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c22-16-7-5-15(6-8-16)18-19(27-12-14-29-21(27)26-18)17-9-11-24-20(25-17)23-10-3-1-2-4-13-28/h5-9,11-12,14,28H,1-4,10,13H2,(H,23,24,25).
What are the key properties of 6-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol?
6-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol has a molecular weight of 395.44 g/mol, XLogP of 4.16, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol is sourced from PubChem (CID 58541626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).