1H-imidazole;1,2-oxazole-3-carboxylic acid

C7H7N3O3 — CID 175292964

IUPAC1H-imidazole;1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1ccon1.c1c[nH]cn1
InChIInChI=1S/C4H3NO3.C3H4N2/c6-4(7)3-1-2-8-5-3;1-2-5-3-4-1/h1-2H,(H,6,7);1-3H,(H,4,5)
InChIKeyQGXQYBBWWPIKJH-UHFFFAOYSA-N
MW181.15 g/mol
LogP0.78
Rot. Bonds1

About 1H-imidazole;1,2-oxazole-3-carboxylic acid

1H-imidazole;1,2-oxazole-3-carboxylic acid (PubChem CID 175292964) has the molecular formula C7H7N3O3 and a molecular weight of 181.15 g/mol. Its IUPAC name is 1H-imidazole;1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name1H-imidazole;1,2-oxazole-3-carboxylic acid
PubChem CID175292964
Molecular FormulaC7H7N3O3
Molecular Weight181.15 g/mol
Exact Mass181.05
IUPAC Name1H-imidazole;1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1ccon1.c1c[nH]cn1
InChIInChI=1S/C4H3NO3.C3H4N2/c6-4(7)3-1-2-8-5-3;1-2-5-3-4-1/h1-2H,(H,6,7);1-3H,(H,4,5)
InChIKeyQGXQYBBWWPIKJH-UHFFFAOYSA-N
XLogP0.78
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1,2-oxazole-3-carboxylic acid;prop-1-ene
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benzene-1,2,4,5-tetracarboxylic acid;cobalt;tetrakis(1H-imidazole);dihydrate
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4-hydroxybenzoic acid;1H-imidazole
CID 69434153
1H-imidazole;2H-isoindole
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tetrakis(1H-imidazole);silicic acid
CID 173065573
benzene;1H-imidazole;hydrochloride
CID 162098896
bis(1H-imidazole);nickel(2+);oxalate
CID 159626799
CID 70626960
CID 70626960
chloranium 1H-imidazole
CID 172826260
1H-imidazole;nickel(2+);dichloride
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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;1,2-oxazole-3-carboxylic acid?
The IUPAC name of 1H-imidazole;1,2-oxazole-3-carboxylic acid (CID 175292964) is 1H-imidazole;1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 1H-imidazole;1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 1H-imidazole;1,2-oxazole-3-carboxylic acid is O=C(O)c1ccon1.c1c[nH]cn1.
What is the InChIKey of 1H-imidazole;1,2-oxazole-3-carboxylic acid?
The InChIKey is QGXQYBBWWPIKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO3.C3H4N2/c6-4(7)3-1-2-8-5-3;1-2-5-3-4-1/h1-2H,(H,6,7);1-3H,(H,4,5).
What are the key properties of 1H-imidazole;1,2-oxazole-3-carboxylic acid?
1H-imidazole;1,2-oxazole-3-carboxylic acid has a molecular weight of 181.15 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 175292964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).