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

C15H15FN4O2 — CID 20924775

IUPAC2-[ethyl-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]ethanol
SMILESCCN(CCO)c1ncnc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C15H15FN4O2/c1-2-20(7-8-21)14-12-13(10-3-5-11(16)6-4-10)19-22-15(12)18-9-17-14/h3-6,9,21H,2,7-8H2,1H3
InChIKeySHFYWQVFGRMDMA-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.24
Rot. Bonds5

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

2-[ethyl-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]ethanol (PubChem CID 20924775) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-[ethyl-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]ethanol
PubChem CID20924775
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name2-[ethyl-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]ethanol
SMILESCCN(CCO)c1ncnc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C15H15FN4O2/c1-2-20(7-8-21)14-12-13(10-3-5-11(16)6-4-10)19-22-15(12)18-9-17-14/h3-6,9,21H,2,7-8H2,1H3
InChIKeySHFYWQVFGRMDMA-UHFFFAOYSA-N
XLogP2.24
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[ethyl-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]ethanol (CID 20924775) is 2-[ethyl-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]ethanol is CCN(CCO)c1ncnc2onc(-c3ccc(F)cc3)c12.
What is the InChIKey of 2-[ethyl-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]ethanol?
The InChIKey is SHFYWQVFGRMDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c1-2-20(7-8-21)14-12-13(10-3-5-11(16)6-4-10)19-22-15(12)18-9-17-14/h3-6,9,21H,2,7-8H2,1H3.
What are the key properties of 2-[ethyl-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]ethanol?
2-[ethyl-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]ethanol has a molecular weight of 302.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 20924775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).