5-amino-3-pyrimidin-5-yl-1,2-oxazole-4-carboxylic acid

C8H6N4O3 — CID 96617631

IUPAC5-amino-3-pyrimidin-5-yl-1,2-oxazole-4-carboxylic acid
SMILESNc1onc(-c2cncnc2)c1C(=O)O
InChIInChI=1S/C8H6N4O3/c9-7-5(8(13)14)6(12-15-7)4-1-10-3-11-2-4/h1-3H,9H2,(H,13,14)
InChIKeyHIQFRYVZGODSPX-UHFFFAOYSA-N
MW206.16 g/mol
LogP0.41
Rot. Bonds2

About 5-amino-3-pyrimidin-5-yl-1,2-oxazole-4-carboxylic acid

5-amino-3-pyrimidin-5-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 96617631) has the molecular formula C8H6N4O3 and a molecular weight of 206.16 g/mol. Its IUPAC name is 5-amino-3-pyrimidin-5-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-pyrimidin-5-yl-1,2-oxazole-4-carboxylic acid
PubChem CID96617631
Molecular FormulaC8H6N4O3
Molecular Weight206.16 g/mol
Exact Mass206.04
IUPAC Name5-amino-3-pyrimidin-5-yl-1,2-oxazole-4-carboxylic acid
SMILESNc1onc(-c2cncnc2)c1C(=O)O
InChIInChI=1S/C8H6N4O3/c9-7-5(8(13)14)6(12-15-7)4-1-10-3-11-2-4/h1-3H,9H2,(H,13,14)
InChIKeyHIQFRYVZGODSPX-UHFFFAOYSA-N
XLogP0.41
TPSA115.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-3-pyrimidin-5-yl-1,2-oxazole-4-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 5-amino-3-pyrimidin-5-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-amino-3-pyrimidin-5-yl-1,2-oxazole-4-carboxylic acid (CID 96617631) is 5-amino-3-pyrimidin-5-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-3-pyrimidin-5-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-amino-3-pyrimidin-5-yl-1,2-oxazole-4-carboxylic acid is Nc1onc(-c2cncnc2)c1C(=O)O.
What is the InChIKey of 5-amino-3-pyrimidin-5-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is HIQFRYVZGODSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O3/c9-7-5(8(13)14)6(12-15-7)4-1-10-3-11-2-4/h1-3H,9H2,(H,13,14).
What are the key properties of 5-amino-3-pyrimidin-5-yl-1,2-oxazole-4-carboxylic acid?
5-amino-3-pyrimidin-5-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 206.16 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-pyrimidin-5-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 96617631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).