2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylic acid

C8H6N4O3 — CID 68554341

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(-c2ncc(C(=O)O)cn2)no1
InChIInChI=1S/C8H6N4O3/c1-4-11-7(12-15-4)6-9-2-5(3-10-6)8(13)14/h2-3H,1H3,(H,13,14)
InChIKeyIOFQQZZRBFKEIF-UHFFFAOYSA-N
MW206.16 g/mol
LogP0.53
Rot. Bonds2

About 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylic acid

2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylic acid (PubChem CID 68554341) has the molecular formula C8H6N4O3 and a molecular weight of 206.16 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylic acid
PubChem CID68554341
Molecular FormulaC8H6N4O3
Molecular Weight206.16 g/mol
Exact Mass206.04
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(-c2ncc(C(=O)O)cn2)no1
InChIInChI=1S/C8H6N4O3/c1-4-11-7(12-15-4)6-9-2-5(3-10-6)8(13)14/h2-3H,1H3,(H,13,14)
InChIKeyIOFQQZZRBFKEIF-UHFFFAOYSA-N
XLogP0.53
TPSA102.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-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 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylic acid (CID 68554341) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylic acid is Cc1nc(-c2ncc(C(=O)O)cn2)no1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylic acid?
The InChIKey is IOFQQZZRBFKEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O3/c1-4-11-7(12-15-4)6-9-2-5(3-10-6)8(13)14/h2-3H,1H3,(H,13,14).
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylic acid?
2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylic acid has a molecular weight of 206.16 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 68554341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).