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

C15H15FN4O2 — CID 20924767

IUPAC2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1ncnc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C15H15FN4O2/c1-2-11(7-21)19-14-12-13(9-3-5-10(16)6-4-9)20-22-15(12)18-8-17-14/h3-6,8,11,21H,2,7H2,1H3,(H,17,18,19)
InChIKeyJULAQLOHNRFRRW-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.61
Rot. Bonds5

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

2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 20924767) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol
PubChem CID20924767
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1ncnc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C15H15FN4O2/c1-2-11(7-21)19-14-12-13(9-3-5-10(16)6-4-9)20-22-15(12)18-8-17-14/h3-6,8,11,21H,2,7H2,1H3,(H,17,18,19)
InChIKeyJULAQLOHNRFRRW-UHFFFAOYSA-N
XLogP2.61
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol (CID 20924767) is 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol is CCC(CO)Nc1ncnc2onc(-c3ccc(F)cc3)c12.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is JULAQLOHNRFRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c1-2-11(7-21)19-14-12-13(9-3-5-10(16)6-4-9)20-22-15(12)18-8-17-14/h3-6,8,11,21H,2,7H2,1H3,(H,17,18,19).
What are the key properties of 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol?
2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 302.31 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 20924767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).