3-(3-methylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid

C8H7N3O3 — CID 66118288

IUPAC3-(3-methylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid
SMILESCn1cncc1-c1cc(C(=O)O)on1
InChIInChI=1S/C8H7N3O3/c1-11-4-9-3-6(11)5-2-7(8(12)13)14-10-5/h2-4H,1H3,(H,12,13)
InChIKeyKXOAVIXORDQCEZ-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.77
Rot. Bonds2

About 3-(3-methylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid

3-(3-methylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 66118288) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 3-(3-methylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID66118288
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name3-(3-methylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid
SMILESCn1cncc1-c1cc(C(=O)O)on1
InChIInChI=1S/C8H7N3O3/c1-11-4-9-3-6(11)5-2-7(8(12)13)14-10-5/h2-4H,1H3,(H,12,13)
InChIKeyKXOAVIXORDQCEZ-UHFFFAOYSA-N
XLogP0.77
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-Phenyl-1H-imidazol-2-yl)isoxazole-5-carboxylic acid, ethyl ester
CID 6425330
3-(Pyrazin-2-yl)-1,2-oxazole-5-carboxylic acid
CID 57688401
3-(Pyrimidin-4-yl)-1,2-oxazole-5-carboxylic acid
CID 63986230
4-[4-(5-Methyl-3-phenyl-isoxazol-4-yl)-imidazol-1-yl]-benzoic acid
CID 67420918
3-(1-Methyl-5-nitroimidazol-2-yl)-1,2-oxazole-5-carboxylic acid
CID 70621367
Methane;3-pyrazin-2-yl-1,2-oxazole-5-carboxylic acid
CID 158674746
5-Methyl-3-(1-methyl-4-imidazolyl)isoxazole-4-carboxylic Acid
CID 22309068
3-(1-methyl-1H-pyrrol-2-yl)-1,2-oxazole-5-carboxylic acid
CID 29078602
3-(Imidazo[1,2-a]pyridin-2-yl)isoxazole-5-carboxylic acid
CID 65617104
5-methyl-3-(1-methyl-1H-imidazol-5-yl)-1,2-oxazole-4-carboxylic acid
CID 66116654
5-Ethyl-3-(1-methyl-1h-imidazol-5-yl)isoxazole-4-carboxylic acid
CID 66116656
3-(1-Methyl-1h-imidazol-5-yl)-5-propylisoxazole-4-carboxylic acid
CID 66116865

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-methylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid (CID 66118288) is 3-(3-methylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-methylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-methylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid is Cn1cncc1-c1cc(C(=O)O)on1.
What is the InChIKey of 3-(3-methylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is KXOAVIXORDQCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-11-4-9-3-6(11)5-2-7(8(12)13)14-10-5/h2-4H,1H3,(H,12,13).
What are the key properties of 3-(3-methylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid?
3-(3-methylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 66118288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).