5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid

C8H7N3O3 — CID 96590893

IUPAC5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid
SMILESCc1ncoc1-c1[nH]cnc1C(=O)O
InChIInChI=1S/C8H7N3O3/c1-4-7(14-3-11-4)5-6(8(12)13)10-2-9-5/h2-3H,1H3,(H,9,10)(H,12,13)
InChIKeyQYYAPXCWQJNOKJ-UHFFFAOYSA-N
MW193.16 g/mol
LogP1.07
Rot. Bonds2

About 5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid

5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid (PubChem CID 96590893) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid
PubChem CID96590893
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid
SMILESCc1ncoc1-c1[nH]cnc1C(=O)O
InChIInChI=1S/C8H7N3O3/c1-4-7(14-3-11-4)5-6(8(12)13)10-2-9-5/h2-3H,1H3,(H,9,10)(H,12,13)
InChIKeyQYYAPXCWQJNOKJ-UHFFFAOYSA-N
XLogP1.07
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid (CID 96590893) is 5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid is Cc1ncoc1-c1[nH]cnc1C(=O)O.
What is the InChIKey of 5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid?
The InChIKey is QYYAPXCWQJNOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-4-7(14-3-11-4)5-6(8(12)13)10-2-9-5/h2-3H,1H3,(H,9,10)(H,12,13).
What are the key properties of 5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid?
5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1,3-oxazol-5-yl)-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 96590893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).