4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid

C10H15NO4 — CID 112605838

IUPAC4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid
SMILESCc1nc(COC(C)(C)C)oc1C(=O)O
InChIInChI=1S/C10H15NO4/c1-6-8(9(12)13)15-7(11-6)5-14-10(2,3)4/h5H2,1-4H3,(H,12,13)
InChIKeyCAOSWUHZWWHTRP-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.00
Rot. Bonds3

About 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid

4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid (PubChem CID 112605838) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid
PubChem CID112605838
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid
SMILESCc1nc(COC(C)(C)C)oc1C(=O)O
InChIInChI=1S/C10H15NO4/c1-6-8(9(12)13)15-7(11-6)5-14-10(2,3)4/h5H2,1-4H3,(H,12,13)
InChIKeyCAOSWUHZWWHTRP-UHFFFAOYSA-N
XLogP2.00
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid (CID 112605838) is 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid is Cc1nc(COC(C)(C)C)oc1C(=O)O.
What is the InChIKey of 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid?
The InChIKey is CAOSWUHZWWHTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-6-8(9(12)13)15-7(11-6)5-14-10(2,3)4/h5H2,1-4H3,(H,12,13).
What are the key properties of 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid?
4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 112605838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).