4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid

C11H12N4O3 — CID 20873507

IUPAC4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1noc2ncnc(N3CCCCC3)c12
InChIInChI=1S/C11H12N4O3/c16-11(17)8-7-9(15-4-2-1-3-5-15)12-6-13-10(7)18-14-8/h6H,1-5H2,(H,16,17)
InChIKeyOKMUBODWEJMZQK-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.31
Rot. Bonds2

About 4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid

4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid (PubChem CID 20873507) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid
PubChem CID20873507
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1noc2ncnc(N3CCCCC3)c12
InChIInChI=1S/C11H12N4O3/c16-11(17)8-7-9(15-4-2-1-3-5-15)12-6-13-10(7)18-14-8/h6H,1-5H2,(H,16,17)
InChIKeyOKMUBODWEJMZQK-UHFFFAOYSA-N
XLogP1.31
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid (CID 20873507) is 4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid is O=C(O)c1noc2ncnc(N3CCCCC3)c12.
What is the InChIKey of 4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid?
The InChIKey is OKMUBODWEJMZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c16-11(17)8-7-9(15-4-2-1-3-5-15)12-6-13-10(7)18-14-8/h6H,1-5H2,(H,16,17).
What are the key properties of 4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid?
4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 20873507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).