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

C7H5N3O3 — CID 82373194

IUPAC5-methyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid
SMILESCc1ncc2onc(C(=O)O)c2n1
InChIInChI=1S/C7H5N3O3/c1-3-8-2-4-5(9-3)6(7(11)12)10-13-4/h2H,1H3,(H,11,12)
InChIKeyHBUYUKPILYJDEM-UHFFFAOYSA-N
MW179.13 g/mol
LogP0.62
Rot. Bonds1

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

5-methyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid (PubChem CID 82373194) has the molecular formula C7H5N3O3 and a molecular weight of 179.13 g/mol. Its IUPAC name is 5-methyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid
PubChem CID82373194
Molecular FormulaC7H5N3O3
Molecular Weight179.13 g/mol
Exact Mass179.03
IUPAC Name5-methyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid
SMILESCc1ncc2onc(C(=O)O)c2n1
InChIInChI=1S/C7H5N3O3/c1-3-8-2-4-5(9-3)6(7(11)12)10-13-4/h2H,1H3,(H,11,12)
InChIKeyHBUYUKPILYJDEM-UHFFFAOYSA-N
XLogP0.62
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.13
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidine-3-carboxylic acid
CID 82390192
1-[5-(Trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidin-3-yl]ethanone
CID 82390761
3-Methyl-[1,2]oxazolo[4,5-d]pyrimidine
CID 58110695
7-Amino-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid
CID 82409267
3-Propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine
CID 88981466
3-Tert-butyl-[1,2]oxazolo[4,5-d]pyrimidine
CID 90328688
Ethane;3-methyl-[1,2]oxazolo[4,5-d]pyrimidine
CID 144655674
3-Ethyl-[1,2]oxazolo[4,5-d]pyrimidine
CID 144656032
3,5-Dimethyl-[1,2]oxazolo[4,3-d]pyrimidine;methane
CID 145141632
3-Ethyl-5-propan-2-yl-[1,2]oxazolo[4,3-d]pyrimidine
CID 145141643
Methane;3-methyl-5-propan-2-yl-[1,2]oxazolo[4,5-d]pyrimidine
CID 145141656
3-Methyl-[1,2]oxazolo[4,3-d]pyrimidine
CID 162789041

Frequently Asked Questions

What is the IUPAC name of 5-methyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-methyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid (CID 82373194) is 5-methyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid is Cc1ncc2onc(C(=O)O)c2n1.
What is the InChIKey of 5-methyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid?
The InChIKey is HBUYUKPILYJDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3/c1-3-8-2-4-5(9-3)6(7(11)12)10-13-4/h2H,1H3,(H,11,12).
What are the key properties of 5-methyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid?
5-methyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid has a molecular weight of 179.13 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 82373194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).