3-imidazo[2,1-b][1,3]oxazol-5-yl-4-methyl-1,2-oxazole-5-carboxylic acid

C10H7N3O4 — CID 82373632

IUPAC3-imidazo[2,1-b][1,3]oxazol-5-yl-4-methyl-1,2-oxazole-5-carboxylic acid
SMILESCc1c(-c2cnc3occn23)noc1C(=O)O
InChIInChI=1S/C10H7N3O4/c1-5-7(12-17-8(5)9(14)15)6-4-11-10-13(6)2-3-16-10/h2-4H,1H3,(H,14,15)
InChIKeyIRHHGKUBBHOUSN-UHFFFAOYSA-N
MW233.18 g/mol
LogP1.59
Rot. Bonds2

About 3-imidazo[2,1-b][1,3]oxazol-5-yl-4-methyl-1,2-oxazole-5-carboxylic acid

3-imidazo[2,1-b][1,3]oxazol-5-yl-4-methyl-1,2-oxazole-5-carboxylic acid (PubChem CID 82373632) has the molecular formula C10H7N3O4 and a molecular weight of 233.18 g/mol. Its IUPAC name is 3-imidazo[2,1-b][1,3]oxazol-5-yl-4-methyl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-imidazo[2,1-b][1,3]oxazol-5-yl-4-methyl-1,2-oxazole-5-carboxylic acid
PubChem CID82373632
Molecular FormulaC10H7N3O4
Molecular Weight233.18 g/mol
Exact Mass233.04
IUPAC Name3-imidazo[2,1-b][1,3]oxazol-5-yl-4-methyl-1,2-oxazole-5-carboxylic acid
SMILESCc1c(-c2cnc3occn23)noc1C(=O)O
InChIInChI=1S/C10H7N3O4/c1-5-7(12-17-8(5)9(14)15)6-4-11-10-13(6)2-3-16-10/h2-4H,1H3,(H,14,15)
InChIKeyIRHHGKUBBHOUSN-UHFFFAOYSA-N
XLogP1.59
TPSA93.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[2,1-b][1,3]oxazol-5-yl-4-methyl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-imidazo[2,1-b][1,3]oxazol-5-yl-4-methyl-1,2-oxazole-5-carboxylic acid (CID 82373632) is 3-imidazo[2,1-b][1,3]oxazol-5-yl-4-methyl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-imidazo[2,1-b][1,3]oxazol-5-yl-4-methyl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-imidazo[2,1-b][1,3]oxazol-5-yl-4-methyl-1,2-oxazole-5-carboxylic acid is Cc1c(-c2cnc3occn23)noc1C(=O)O.
What is the InChIKey of 3-imidazo[2,1-b][1,3]oxazol-5-yl-4-methyl-1,2-oxazole-5-carboxylic acid?
The InChIKey is IRHHGKUBBHOUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O4/c1-5-7(12-17-8(5)9(14)15)6-4-11-10-13(6)2-3-16-10/h2-4H,1H3,(H,14,15).
What are the key properties of 3-imidazo[2,1-b][1,3]oxazol-5-yl-4-methyl-1,2-oxazole-5-carboxylic acid?
3-imidazo[2,1-b][1,3]oxazol-5-yl-4-methyl-1,2-oxazole-5-carboxylic acid has a molecular weight of 233.18 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[2,1-b][1,3]oxazol-5-yl-4-methyl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 82373632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).