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

C12H14N4O3 — CID 20873506

IUPAC6-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid
SMILESCc1nc(N2CCCCC2)c2c(C(=O)O)noc2n1
InChIInChI=1S/C12H14N4O3/c1-7-13-10(16-5-3-2-4-6-16)8-9(12(17)18)15-19-11(8)14-7/h2-6H2,1H3,(H,17,18)
InChIKeyZVALQYAYCCJGLZ-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.61
Rot. Bonds2

About 6-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid

6-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid (PubChem CID 20873506) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid
PubChem CID20873506
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name6-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid
SMILESCc1nc(N2CCCCC2)c2c(C(=O)O)noc2n1
InChIInChI=1S/C12H14N4O3/c1-7-13-10(16-5-3-2-4-6-16)8-9(12(17)18)15-19-11(8)14-7/h2-6H2,1H3,(H,17,18)
InChIKeyZVALQYAYCCJGLZ-UHFFFAOYSA-N
XLogP1.61
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid (CID 20873506) is 6-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid is Cc1nc(N2CCCCC2)c2c(C(=O)O)noc2n1.
What is the InChIKey of 6-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid?
The InChIKey is ZVALQYAYCCJGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-13-10(16-5-3-2-4-6-16)8-9(12(17)18)15-19-11(8)14-7/h2-6H2,1H3,(H,17,18).
What are the key properties of 6-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid?
6-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid has a molecular weight of 262.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 20873506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).