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

C20H20FN5O2 — CID 11349542

IUPAC3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1
InChIInChI=1S/C20H20FN5O2/c1-20(2,12-27)11-23-18-22-8-7-15(24-18)17-16(13-3-5-14(21)6-4-13)25-19-26(17)9-10-28-19/h3-10,27H,11-12H2,1-2H3,(H,22,23,24)
InChIKeyBTDHBYNVTYZZLJ-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.62
Rot. Bonds6

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

3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-2,2-dimethylpropan-1-ol (PubChem CID 11349542) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-2,2-dimethylpropan-1-ol
PubChem CID11349542
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1
InChIInChI=1S/C20H20FN5O2/c1-20(2,12-27)11-23-18-22-8-7-15(24-18)17-16(13-3-5-14(21)6-4-13)25-19-26(17)9-10-28-19/h3-10,27H,11-12H2,1-2H3,(H,22,23,24)
InChIKeyBTDHBYNVTYZZLJ-UHFFFAOYSA-N
XLogP3.62
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-2,2-dimethylpropan-1-ol (CID 11349542) is 3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1.
What is the InChIKey of 3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-2,2-dimethylpropan-1-ol?
The InChIKey is BTDHBYNVTYZZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-20(2,12-27)11-23-18-22-8-7-15(24-18)17-16(13-3-5-14(21)6-4-13)25-19-26(17)9-10-28-19/h3-10,27H,11-12H2,1-2H3,(H,22,23,24).
What are the key properties of 3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-2,2-dimethylpropan-1-ol?
3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-2,2-dimethylpropan-1-ol has a molecular weight of 381.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 11349542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).