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

C21H22FN5O2 — CID 58541800

IUPAC(2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol
SMILESCCCC[C@@H](CO)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1
InChIInChI=1S/C21H22FN5O2/c1-2-3-4-16(13-28)24-20-23-10-9-17(25-20)19-18(14-5-7-15(22)8-6-14)26-21-27(19)11-12-29-21/h5-12,16,28H,2-4,13H2,1H3,(H,23,24,25)/t16-/m0/s1
InChIKeyZKJUAUDJKCOCJR-INIZCTEOSA-N
MW395.44 g/mol
LogP4.15
Rot. Bonds8

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

(2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol (PubChem CID 58541800) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is (2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol
PubChem CID58541800
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name(2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol
SMILESCCCC[C@@H](CO)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1
InChIInChI=1S/C21H22FN5O2/c1-2-3-4-16(13-28)24-20-23-10-9-17(25-20)19-18(14-5-7-15(22)8-6-14)26-21-27(19)11-12-29-21/h5-12,16,28H,2-4,13H2,1H3,(H,23,24,25)/t16-/m0/s1
InChIKeyZKJUAUDJKCOCJR-INIZCTEOSA-N
XLogP4.15
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[[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 (2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol?
The IUPAC name of (2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol (CID 58541800) is (2S)-2-[[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 (2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol?
The canonical SMILES for (2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol is CCCC[C@@H](CO)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1.
What is the InChIKey of (2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol?
The InChIKey is ZKJUAUDJKCOCJR-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-2-3-4-16(13-28)24-20-23-10-9-17(25-20)19-18(14-5-7-15(22)8-6-14)26-21-27(19)11-12-29-21/h5-12,16,28H,2-4,13H2,1H3,(H,23,24,25)/t16-/m0/s1.
What are the key properties of (2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol?
(2S)-2-[[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 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[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 58541800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).