2-(pyrimidin-5-ylamino)-1,3-oxazole-4-carboxylic acid

C8H6N4O3 — CID 107588927

IUPAC2-(pyrimidin-5-ylamino)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(Nc2cncnc2)n1
InChIInChI=1S/C8H6N4O3/c13-7(14)6-3-15-8(12-6)11-5-1-9-4-10-2-5/h1-4H,(H,11,12)(H,13,14)
InChIKeyLVBIPETZDWMDBC-UHFFFAOYSA-N
MW206.16 g/mol
LogP0.91
Rot. Bonds3

About 2-(pyrimidin-5-ylamino)-1,3-oxazole-4-carboxylic acid

2-(pyrimidin-5-ylamino)-1,3-oxazole-4-carboxylic acid (PubChem CID 107588927) has the molecular formula C8H6N4O3 and a molecular weight of 206.16 g/mol. Its IUPAC name is 2-(pyrimidin-5-ylamino)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(pyrimidin-5-ylamino)-1,3-oxazole-4-carboxylic acid
PubChem CID107588927
Molecular FormulaC8H6N4O3
Molecular Weight206.16 g/mol
Exact Mass206.04
IUPAC Name2-(pyrimidin-5-ylamino)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(Nc2cncnc2)n1
InChIInChI=1S/C8H6N4O3/c13-7(14)6-3-15-8(12-6)11-5-1-9-4-10-2-5/h1-4H,(H,11,12)(H,13,14)
InChIKeyLVBIPETZDWMDBC-UHFFFAOYSA-N
XLogP0.91
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylsulfonylanilino)-1,3-oxazole-4-carboxylic acid
CID 113377106
2-[3-chloro-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxylic acid
CID 116700317
2-(2-methylsulfanylanilino)-1,3-oxazole-4-carboxylic acid
CID 107645137
2-(3-fluoropropylamino)-1,3-oxazole-4-carboxylic acid
CID 166178227
2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxylic acid
CID 91669614
2-(2-chloro-4-iodoanilino)-1,3-oxazole-4-carboxylic acid
CID 107607038
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3-oxazole-4-carboxylic acid
CID 106373101
2-[(3,3-dimethylcyclobutyl)amino]-1,3-oxazole-4-carboxylic acid
CID 131187454
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-oxazole-4-carboxylic acid
CID 114982862
2-(4-methylpent-1-yn-3-ylamino)-1,3-oxazole-4-carboxylic acid
CID 130481552
2-[[1-(trifluoromethyl)cyclopropyl]amino]-1,3-oxazole-4-carboxylic acid
CID 106213924
2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-1,3-oxazole-4-carboxylic acid
CID 106096953

Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidin-5-ylamino)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(pyrimidin-5-ylamino)-1,3-oxazole-4-carboxylic acid (CID 107588927) is 2-(pyrimidin-5-ylamino)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(pyrimidin-5-ylamino)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(pyrimidin-5-ylamino)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(Nc2cncnc2)n1.
What is the InChIKey of 2-(pyrimidin-5-ylamino)-1,3-oxazole-4-carboxylic acid?
The InChIKey is LVBIPETZDWMDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O3/c13-7(14)6-3-15-8(12-6)11-5-1-9-4-10-2-5/h1-4H,(H,11,12)(H,13,14).
What are the key properties of 2-(pyrimidin-5-ylamino)-1,3-oxazole-4-carboxylic acid?
2-(pyrimidin-5-ylamino)-1,3-oxazole-4-carboxylic acid has a molecular weight of 206.16 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrimidin-5-ylamino)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 107588927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).