4-tert-butyl-2-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid

C13H16N2O4 — CID 114372712

IUPAC4-tert-butyl-2-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid
SMILESCc1nc(C)c(-c2nc(C(C)(C)C)c(C(=O)O)o2)o1
InChIInChI=1S/C13H16N2O4/c1-6-8(18-7(2)14-6)11-15-10(13(3,4)5)9(19-11)12(16)17/h1-5H3,(H,16,17)
InChIKeyPMJPXRPVNLUNGR-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.94
Rot. Bonds2

About 4-tert-butyl-2-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid

4-tert-butyl-2-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid (PubChem CID 114372712) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-tert-butyl-2-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-2-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid
PubChem CID114372712
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-tert-butyl-2-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid
SMILESCc1nc(C)c(-c2nc(C(C)(C)C)c(C(=O)O)o2)o1
InChIInChI=1S/C13H16N2O4/c1-6-8(18-7(2)14-6)11-15-10(13(3,4)5)9(19-11)12(16)17/h1-5H3,(H,16,17)
InChIKeyPMJPXRPVNLUNGR-UHFFFAOYSA-N
XLogP2.94
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-tert-butyl-2-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid (CID 114372712) is 4-tert-butyl-2-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-2-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-tert-butyl-2-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid is Cc1nc(C)c(-c2nc(C(C)(C)C)c(C(=O)O)o2)o1.
What is the InChIKey of 4-tert-butyl-2-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is PMJPXRPVNLUNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-6-8(18-7(2)14-6)11-15-10(13(3,4)5)9(19-11)12(16)17/h1-5H3,(H,16,17).
What are the key properties of 4-tert-butyl-2-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid?
4-tert-butyl-2-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114372712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).