5-methyl-3-(2-methylpropyl)-4H-1,2-oxazole-5-carboxylic acid

C9H15NO3 — CID 102725137

IUPAC5-methyl-3-(2-methylpropyl)-4H-1,2-oxazole-5-carboxylic acid
SMILESCC(C)CC1=NOC(C)(C(=O)O)C1
InChIInChI=1S/C9H15NO3/c1-6(2)4-7-5-9(3,8(11)12)13-10-7/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyZRVBPHLKIKVWNM-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.65
Rot. Bonds3

About 5-methyl-3-(2-methylpropyl)-4H-1,2-oxazole-5-carboxylic acid

5-methyl-3-(2-methylpropyl)-4H-1,2-oxazole-5-carboxylic acid (PubChem CID 102725137) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 5-methyl-3-(2-methylpropyl)-4H-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-(2-methylpropyl)-4H-1,2-oxazole-5-carboxylic acid
PubChem CID102725137
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name5-methyl-3-(2-methylpropyl)-4H-1,2-oxazole-5-carboxylic acid
SMILESCC(C)CC1=NOC(C)(C(=O)O)C1
InChIInChI=1S/C9H15NO3/c1-6(2)4-7-5-9(3,8(11)12)13-10-7/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyZRVBPHLKIKVWNM-UHFFFAOYSA-N
XLogP1.65
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylpropyl)-4H-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 5-methyl-3-(2-methylpropyl)-4H-1,2-oxazole-5-carboxylic acid (CID 102725137) is 5-methyl-3-(2-methylpropyl)-4H-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 5-methyl-3-(2-methylpropyl)-4H-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 5-methyl-3-(2-methylpropyl)-4H-1,2-oxazole-5-carboxylic acid is CC(C)CC1=NOC(C)(C(=O)O)C1.
What is the InChIKey of 5-methyl-3-(2-methylpropyl)-4H-1,2-oxazole-5-carboxylic acid?
The InChIKey is ZRVBPHLKIKVWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)4-7-5-9(3,8(11)12)13-10-7/h6H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 5-methyl-3-(2-methylpropyl)-4H-1,2-oxazole-5-carboxylic acid?
5-methyl-3-(2-methylpropyl)-4H-1,2-oxazole-5-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylpropyl)-4H-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 102725137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).