2-tert-butyl-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid

C12H19NO3 — CID 114374559

IUPAC2-tert-butyl-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
SMILESCC(C)Cc1nc(C(C)(C)C)oc1C(=O)O
InChIInChI=1S/C12H19NO3/c1-7(2)6-8-9(10(14)15)16-11(13-8)12(3,4)5/h7H,6H2,1-5H3,(H,14,15)
InChIKeyZGWQXRDVRMYXLN-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.87
Rot. Bonds3

About 2-tert-butyl-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid

2-tert-butyl-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 114374559) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-tert-butyl-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
PubChem CID114374559
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-tert-butyl-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
SMILESCC(C)Cc1nc(C(C)(C)C)oc1C(=O)O
InChIInChI=1S/C12H19NO3/c1-7(2)6-8-9(10(14)15)16-11(13-8)12(3,4)5/h7H,6H2,1-5H3,(H,14,15)
InChIKeyZGWQXRDVRMYXLN-UHFFFAOYSA-N
XLogP2.87
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-2-tert-butyl-1,3-oxazole-5-carboxylic acid
CID 115059896
2-(1-methoxyethyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
CID 114374798
4-(2-methylpropyl)-2-(1-methylsulfonylethyl)-1,3-oxazole-5-carboxylic acid
CID 114374651
2-(2-cyclopentylethyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
CID 114374693
2-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
CID 114374677
4-(2-methylpropyl)-2-(oxan-4-yl)-1,3-oxazole-5-carboxylic acid
CID 114374696
4-(2-methylpropyl)-2-(5-nitrofuran-2-yl)-1,3-oxazole-5-carboxylic acid
CID 114374662
ethyl 4-(2-methylpropyl)-2-(2-methylsulfonylpropan-2-yl)-1,3-oxazole-5-carboxylate
CID 114372427
2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
CID 114374746
4-ethyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 83673039
5-methyl-4-(2-methylpropyl)-1,3-oxazole-2-carboxylic acid
CID 105440469
4-tert-butyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114359338

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid (CID 114374559) is 2-tert-butyl-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid is CC(C)Cc1nc(C(C)(C)C)oc1C(=O)O.
What is the InChIKey of 2-tert-butyl-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is ZGWQXRDVRMYXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-7(2)6-8-9(10(14)15)16-11(13-8)12(3,4)5/h7H,6H2,1-5H3,(H,14,15).
What are the key properties of 2-tert-butyl-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid?
2-tert-butyl-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114374559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).