2-[6-(4-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid

C11H10N4O3 — CID 82384676

IUPAC2-[6-(4-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid
SMILESCc1cnoc1-c1cn2c(CC(=O)O)cnc2[nH]1
InChIInChI=1S/C11H10N4O3/c1-6-3-13-18-10(6)8-5-15-7(2-9(16)17)4-12-11(15)14-8/h3-5H,2H2,1H3,(H,12,14)(H,16,17)
InChIKeyIKRJPVASKGOAGC-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.25
Rot. Bonds3

About 2-[6-(4-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid

2-[6-(4-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid (PubChem CID 82384676) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-[6-(4-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(4-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid
PubChem CID82384676
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name2-[6-(4-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid
SMILESCc1cnoc1-c1cn2c(CC(=O)O)cnc2[nH]1
InChIInChI=1S/C11H10N4O3/c1-6-3-13-18-10(6)8-5-15-7(2-9(16)17)4-12-11(15)14-8/h3-5H,2H2,1H3,(H,12,14)(H,16,17)
InChIKeyIKRJPVASKGOAGC-UHFFFAOYSA-N
XLogP1.25
TPSA96.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid?
The IUPAC name of 2-[6-(4-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid (CID 82384676) is 2-[6-(4-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-(4-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid?
The canonical SMILES for 2-[6-(4-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid is Cc1cnoc1-c1cn2c(CC(=O)O)cnc2[nH]1.
What is the InChIKey of 2-[6-(4-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid?
The InChIKey is IKRJPVASKGOAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-6-3-13-18-10(6)8-5-15-7(2-9(16)17)4-12-11(15)14-8/h3-5H,2H2,1H3,(H,12,14)(H,16,17).
What are the key properties of 2-[6-(4-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid?
2-[6-(4-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid has a molecular weight of 246.23 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methyl-1,2-oxazol-5-yl)-7H-imidazo[1,2-a]imidazol-3-yl]acetic acid is sourced from PubChem (CID 82384676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).