4-methoxy-6-methyl-[1,2]oxazolo[3,4-d]pyrimidine-3-carboxylic acid

C8H7N3O4 — CID 82395210

IUPAC4-methoxy-6-methyl-[1,2]oxazolo[3,4-d]pyrimidine-3-carboxylic acid
SMILESCOc1nc(C)nc2noc(C(=O)O)c12
InChIInChI=1S/C8H7N3O4/c1-3-9-6-4(7(10-3)14-2)5(8(12)13)15-11-6/h1-2H3,(H,12,13)
InChIKeyUIVISIFEDNGJLB-UHFFFAOYSA-N
MW209.16 g/mol
LogP0.63
Rot. Bonds2

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

4-methoxy-6-methyl-[1,2]oxazolo[3,4-d]pyrimidine-3-carboxylic acid (PubChem CID 82395210) has the molecular formula C8H7N3O4 and a molecular weight of 209.16 g/mol. Its IUPAC name is 4-methoxy-6-methyl-[1,2]oxazolo[3,4-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-6-methyl-[1,2]oxazolo[3,4-d]pyrimidine-3-carboxylic acid
PubChem CID82395210
Molecular FormulaC8H7N3O4
Molecular Weight209.16 g/mol
Exact Mass209.04
IUPAC Name4-methoxy-6-methyl-[1,2]oxazolo[3,4-d]pyrimidine-3-carboxylic acid
SMILESCOc1nc(C)nc2noc(C(=O)O)c12
InChIInChI=1S/C8H7N3O4/c1-3-9-6-4(7(10-3)14-2)5(8(12)13)15-11-6/h1-2H3,(H,12,13)
InChIKeyUIVISIFEDNGJLB-UHFFFAOYSA-N
XLogP0.63
TPSA98.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-6-methyl-[1,2]oxazolo[3,4-d]pyrimidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-[1,2]oxazolo[3,4-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 4-methoxy-6-methyl-[1,2]oxazolo[3,4-d]pyrimidine-3-carboxylic acid (CID 82395210) is 4-methoxy-6-methyl-[1,2]oxazolo[3,4-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 4-methoxy-6-methyl-[1,2]oxazolo[3,4-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 4-methoxy-6-methyl-[1,2]oxazolo[3,4-d]pyrimidine-3-carboxylic acid is COc1nc(C)nc2noc(C(=O)O)c12.
What is the InChIKey of 4-methoxy-6-methyl-[1,2]oxazolo[3,4-d]pyrimidine-3-carboxylic acid?
The InChIKey is UIVISIFEDNGJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O4/c1-3-9-6-4(7(10-3)14-2)5(8(12)13)15-11-6/h1-2H3,(H,12,13).
What are the key properties of 4-methoxy-6-methyl-[1,2]oxazolo[3,4-d]pyrimidine-3-carboxylic acid?
4-methoxy-6-methyl-[1,2]oxazolo[3,4-d]pyrimidine-3-carboxylic acid has a molecular weight of 209.16 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-[1,2]oxazolo[3,4-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 82395210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).