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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Related Compounds

5-methyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid
CID 82373194
5-ethyl-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid
CID 76847253
4,5-diethyl-1,2-oxazole-3-carboxylic acid
CID 105434054
5-(2,4-dimethylbenzoyl)-2-ethylpyrimidine-4-carboxylic acid
CID 82170476
2-ethyl-4-propan-2-yloxypyrimidine-5-carboxylic acid
CID 83884924
5-ethyl-4-nitro-1,2-oxazole-3-carboxylic acid
CID 83817517
5-ethyl-3H-[1,3]oxazolo[4,5-d]pyrimidin-2-one
CID 122697153
4-ethyl-1,2-oxazole-3-carboxylic acid
CID 53421780
5-bromo-2-ethylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 84813930
2,4-diethylpyrimidine-5-carboxylate
CID 71434686
2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 56781685
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 42553350

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).