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

C15H13FN4O3 — CID 20924770

IUPACethyl 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetate
SMILESCCOC(=O)CNc1ncnc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C15H13FN4O3/c1-2-22-11(21)7-17-14-12-13(9-3-5-10(16)6-4-9)20-23-15(12)19-8-18-14/h3-6,8H,2,7H2,1H3,(H,17,18,19)
InChIKeyAGNDYPWCWRASME-UHFFFAOYSA-N
MW316.29 g/mol
LogP2.40
Rot. Bonds5

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

ethyl 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetate (PubChem CID 20924770) has the molecular formula C15H13FN4O3 and a molecular weight of 316.29 g/mol. Its IUPAC name is ethyl 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetate
PubChem CID20924770
Molecular FormulaC15H13FN4O3
Molecular Weight316.29 g/mol
Exact Mass316.10
IUPAC Nameethyl 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetate
SMILESCCOC(=O)CNc1ncnc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C15H13FN4O3/c1-2-22-11(21)7-17-14-12-13(9-3-5-10(16)6-4-9)20-23-15(12)19-8-18-14/h3-6,8H,2,7H2,1H3,(H,17,18,19)
InChIKeyAGNDYPWCWRASME-UHFFFAOYSA-N
XLogP2.40
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetate?
The IUPAC name of ethyl 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetate (CID 20924770) is ethyl 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetate is CCOC(=O)CNc1ncnc2onc(-c3ccc(F)cc3)c12.
What is the InChIKey of ethyl 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetate?
The InChIKey is AGNDYPWCWRASME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O3/c1-2-22-11(21)7-17-14-12-13(9-3-5-10(16)6-4-9)20-23-15(12)19-8-18-14/h3-6,8H,2,7H2,1H3,(H,17,18,19).
What are the key properties of ethyl 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetate?
ethyl 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetate has a molecular weight of 316.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]acetate is sourced from PubChem (CID 20924770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).