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

C8H7N3O3 — CID 82373195

IUPAC5-ethyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid
SMILESCCc1ncc2onc(C(=O)O)c2n1
InChIInChI=1S/C8H7N3O3/c1-2-5-9-3-4-6(10-5)7(8(12)13)11-14-4/h3H,2H2,1H3,(H,12,13)
InChIKeyGLAJALZONOHNTB-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.88
Rot. Bonds2

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

5-ethyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid (PubChem CID 82373195) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 5-ethyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid
PubChem CID82373195
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name5-ethyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid
SMILESCCc1ncc2onc(C(=O)O)c2n1
InChIInChI=1S/C8H7N3O3/c1-2-5-9-3-4-6(10-5)7(8(12)13)11-14-4/h3H,2H2,1H3,(H,12,13)
InChIKeyGLAJALZONOHNTB-UHFFFAOYSA-N
XLogP0.88
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-ethyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid (CID 82373195) is 5-ethyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid is CCc1ncc2onc(C(=O)O)c2n1.
What is the InChIKey of 5-ethyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid?
The InChIKey is GLAJALZONOHNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-2-5-9-3-4-6(10-5)7(8(12)13)11-14-4/h3H,2H2,1H3,(H,12,13).
What are the key properties of 5-ethyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid?
5-ethyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 82373195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).