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

C10H11N3O3 — CID 66132083

IUPAC3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid
SMILESCC(C)n1cncc1-c1cc(C(=O)O)on1
InChIInChI=1S/C10H11N3O3/c1-6(2)13-5-11-4-8(13)7-3-9(10(14)15)16-12-7/h3-6H,1-2H3,(H,14,15)
InChIKeyGWJBHLXEZCRSQU-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.82
Rot. Bonds3

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

3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 66132083) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID66132083
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid
SMILESCC(C)n1cncc1-c1cc(C(=O)O)on1
InChIInChI=1S/C10H11N3O3/c1-6(2)13-5-11-4-8(13)7-3-9(10(14)15)16-12-7/h3-6H,1-2H3,(H,14,15)
InChIKeyGWJBHLXEZCRSQU-UHFFFAOYSA-N
XLogP1.82
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-Fluoro-4-imidazol-1-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117435246
3-[3-Fluoro-4-(2-methylimidazol-1-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117463321
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
5-[2-Tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-1,2-oxazole-3-carboxylic acid
CID 68636480
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

Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid (CID 66132083) is 3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid is CC(C)n1cncc1-c1cc(C(=O)O)on1.
What is the InChIKey of 3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is GWJBHLXEZCRSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-6(2)13-5-11-4-8(13)7-3-9(10(14)15)16-12-7/h3-6H,1-2H3,(H,14,15).
What are the key properties of 3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid?
3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-ylimidazol-4-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 66132083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).