3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol

C16H17FN4O2 — CID 20924772

IUPAC3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)(CCO)Nc1ncnc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C16H17FN4O2/c1-16(2,7-8-22)20-14-12-13(10-3-5-11(17)6-4-10)21-23-15(12)19-9-18-14/h3-6,9,22H,7-8H2,1-2H3,(H,18,19,20)
InChIKeyUHJNCWRGJBAYPD-UHFFFAOYSA-N
MW316.34 g/mol
LogP3.00
Rot. Bonds5

About 3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol

3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol (PubChem CID 20924772) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
PubChem CID20924772
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol
SMILESCC(C)(CCO)Nc1ncnc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C16H17FN4O2/c1-16(2,7-8-22)20-14-12-13(10-3-5-11(17)6-4-10)21-23-15(12)19-9-18-14/h3-6,9,22H,7-8H2,1-2H3,(H,18,19,20)
InChIKeyUHJNCWRGJBAYPD-UHFFFAOYSA-N
XLogP3.00
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of 3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol (CID 20924772) is 3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for 3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for 3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol is CC(C)(CCO)Nc1ncnc2onc(-c3ccc(F)cc3)c12.
What is the InChIKey of 3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
The InChIKey is UHJNCWRGJBAYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-16(2,7-8-22)20-14-12-13(10-3-5-11(17)6-4-10)21-23-15(12)19-9-18-14/h3-6,9,22H,7-8H2,1-2H3,(H,18,19,20).
What are the key properties of 3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol?
3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol has a molecular weight of 316.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 20924772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).