3-alumanyl-5-methyl-1,2-oxazole-4-carboxylic acid

C5H6AlNO3 — CID 154469347

IUPAC3-alumanyl-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc([AlH2])c1C(=O)O
InChIInChI=1S/C5H4NO3.Al.2H/c1-3-4(5(7)8)2-6-9-3;;;/h1H3,(H,7,8);;;
InChIKeyQBLDIKPYNKVXRO-UHFFFAOYSA-N
MW155.09 g/mol
LogP-1.06
Rot. Bonds1

About 3-alumanyl-5-methyl-1,2-oxazole-4-carboxylic acid

3-alumanyl-5-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 154469347) has the molecular formula C5H6AlNO3 and a molecular weight of 155.09 g/mol. Its IUPAC name is 3-alumanyl-5-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-alumanyl-5-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID154469347
Molecular FormulaC5H6AlNO3
Molecular Weight155.09 g/mol
Exact Mass155.02
IUPAC Name3-alumanyl-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc([AlH2])c1C(=O)O
InChIInChI=1S/C5H4NO3.Al.2H/c1-3-4(5(7)8)2-6-9-3;;;/h1H3,(H,7,8);;;
InChIKeyQBLDIKPYNKVXRO-UHFFFAOYSA-N
XLogP-1.06
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.09
LogP ≤ 5-1.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-alumanyl-5-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-alumanyl-5-methyl-1,2-oxazole-4-carboxylic acid (CID 154469347) is 3-alumanyl-5-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-alumanyl-5-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-alumanyl-5-methyl-1,2-oxazole-4-carboxylic acid is Cc1onc([AlH2])c1C(=O)O.
What is the InChIKey of 3-alumanyl-5-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is QBLDIKPYNKVXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4NO3.Al.2H/c1-3-4(5(7)8)2-6-9-3;;;/h1H3,(H,7,8);;;.
What are the key properties of 3-alumanyl-5-methyl-1,2-oxazole-4-carboxylic acid?
3-alumanyl-5-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 155.09 g/mol, XLogP of -1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-alumanyl-5-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 154469347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).