2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(pyridin-2-ylmethyl)acetamide

C21H18FN5O3 — CID 53199219

IUPAC2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(pyridin-2-ylmethyl)acetamide
SMILESCCc1nc(OCC(=O)NCc2ccccn2)c2c(-c3ccc(F)cc3)noc2n1
InChIInChI=1S/C21H18FN5O3/c1-2-16-25-20(29-12-17(28)24-11-15-5-3-4-10-23-15)18-19(27-30-21(18)26-16)13-6-8-14(22)9-7-13/h3-10H,2,11-12H2,1H3,(H,24,28)
InChIKeyGIRGXMNRVWWOQM-UHFFFAOYSA-N
MW407.41 g/mol
LogP3.08
Rot. Bonds7

About 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(pyridin-2-ylmethyl)acetamide

2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 53199219) has the molecular formula C21H18FN5O3 and a molecular weight of 407.41 g/mol. Its IUPAC name is 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID53199219
Molecular FormulaC21H18FN5O3
Molecular Weight407.41 g/mol
Exact Mass407.14
IUPAC Name2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(pyridin-2-ylmethyl)acetamide
SMILESCCc1nc(OCC(=O)NCc2ccccn2)c2c(-c3ccc(F)cc3)noc2n1
InChIInChI=1S/C21H18FN5O3/c1-2-16-25-20(29-12-17(28)24-11-15-5-3-4-10-23-15)18-19(27-30-21(18)26-16)13-6-8-14(22)9-7-13/h3-10H,2,11-12H2,1H3,(H,24,28)
InChIKeyGIRGXMNRVWWOQM-UHFFFAOYSA-N
XLogP3.08
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(pyridin-2-ylmethyl)acetamide (CID 53199219) is 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(pyridin-2-ylmethyl)acetamide is CCc1nc(OCC(=O)NCc2ccccn2)c2c(-c3ccc(F)cc3)noc2n1.
What is the InChIKey of 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is GIRGXMNRVWWOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3/c1-2-16-25-20(29-12-17(28)24-11-15-5-3-4-10-23-15)18-19(27-30-21(18)26-16)13-6-8-14(22)9-7-13/h3-10H,2,11-12H2,1H3,(H,24,28).
What are the key properties of 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(pyridin-2-ylmethyl)acetamide?
2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 407.41 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-ethyl-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 53199219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).