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

C19H18FN5O3 — CID 58541744

IUPAC2-[2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol
SMILESOCCOCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1
InChIInChI=1S/C19H18FN5O3/c20-14-3-1-13(2-4-14)16-17(25-8-11-28-19(25)24-16)15-5-6-21-18(23-15)22-7-10-27-12-9-26/h1-6,8,11,26H,7,9-10,12H2,(H,21,22,23)
InChIKeyJDDYWQCXZONERF-UHFFFAOYSA-N
MW383.38 g/mol
LogP2.61
Rot. Bonds8

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

2-[2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol (PubChem CID 58541744) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is 2-[2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol
PubChem CID58541744
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name2-[2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol
SMILESOCCOCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1
InChIInChI=1S/C19H18FN5O3/c20-14-3-1-13(2-4-14)16-17(25-8-11-28-19(25)24-16)15-5-6-21-18(23-15)22-7-10-27-12-9-26/h1-6,8,11,26H,7,9-10,12H2,(H,21,22,23)
InChIKeyJDDYWQCXZONERF-UHFFFAOYSA-N
XLogP2.61
TPSA97.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol
CID 58541626
N-[2-(4-aminophenyl)ethyl]-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-amine;molecular hydrogen
CID 157054344
(2S,3S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]butane-1,3-diol
CID 58541756
2-N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 58541655
N-[2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]ethyl]-4-iodobenzenesulfonamide
CID 138607182
(2S)-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]hexan-1-ol
CID 58541800
4-fluoro-N-[2-[[4-(6-phenylimidazo[2,1-b][1,3]oxazol-5-yl)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 145437326
2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 58541830
N-[1-[1-(4-fluoroanilino)ethenyl]piperidin-4-yl]-4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-amine
CID 143219831
(1S,5R)-N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 58541735
4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[(3R)-1-methylpiperidin-3-yl]pyrimidin-2-amine
CID 143567388
4-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-N-[3-(4-methoxyphenyl)sulfonylpropyl]pyrimidin-2-amine
CID 157126394

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol (CID 58541744) is 2-[2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol is OCCOCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1.
What is the InChIKey of 2-[2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol?
The InChIKey is JDDYWQCXZONERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3/c20-14-3-1-13(2-4-14)16-17(25-8-11-28-19(25)24-16)15-5-6-21-18(23-15)22-7-10-27-12-9-26/h1-6,8,11,26H,7,9-10,12H2,(H,21,22,23).
What are the key properties of 2-[2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol?
2-[2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol has a molecular weight of 383.38 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 58541744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).