5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid

C11H13N3O3 — CID 61397268

IUPAC5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESCC(C)c1nccn1Cc1cc(C(=O)O)no1
InChIInChI=1S/C11H13N3O3/c1-7(2)10-12-3-4-14(10)6-8-5-9(11(15)16)13-17-8/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyGWEDHACWBSOASU-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.74
Rot. Bonds4

About 5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid

5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 61397268) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID61397268
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESCC(C)c1nccn1Cc1cc(C(=O)O)no1
InChIInChI=1S/C11H13N3O3/c1-7(2)10-12-3-4-14(10)6-8-5-9(11(15)16)13-17-8/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeyGWEDHACWBSOASU-UHFFFAOYSA-N
XLogP1.74
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 55212892
3-methyl-5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-2-carboxylic acid
CID 43620966
5-[(2-phenylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397272
2-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carboxylic acid
CID 43477624
5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide
CID 63579908
3-methyl-5-[[2-[(1R)-1-phenylethyl]imidazol-1-yl]methyl]-1,2-oxazole
CID 95469015
2-[2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetic acid
CID 113314417
5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 55117077
5-(2-hydroxypropyl)-1,2-oxazole-3-carboxylic acid
CID 123347275
5-[(2-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 63577211
5-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 106670144
2-(2-propan-2-ylimidazol-1-yl)acetohydrazide
CID 63579371

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (CID 61397268) is 5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is CC(C)c1nccn1Cc1cc(C(=O)O)no1.
What is the InChIKey of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is GWEDHACWBSOASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7(2)10-12-3-4-14(10)6-8-5-9(11(15)16)13-17-8/h3-5,7H,6H2,1-2H3,(H,15,16).
What are the key properties of 5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 61397268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).