3-(5-tert-butyl-1,3-oxazol-2-yl)propanoic acid

C10H15NO3 — CID 68759265

IUPAC3-(5-tert-butyl-1,3-oxazol-2-yl)propanoic acid
SMILESCC(C)(C)c1cnc(CCC(=O)O)o1
InChIInChI=1S/C10H15NO3/c1-10(2,3)7-6-11-8(14-7)4-5-9(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyXNMKWWHNOUBLMF-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.99
Rot. Bonds3

About 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoic acid

3-(5-tert-butyl-1,3-oxazol-2-yl)propanoic acid (PubChem CID 68759265) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-tert-butyl-1,3-oxazol-2-yl)propanoic acid
PubChem CID68759265
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-(5-tert-butyl-1,3-oxazol-2-yl)propanoic acid
SMILESCC(C)(C)c1cnc(CCC(=O)O)o1
InChIInChI=1S/C10H15NO3/c1-10(2,3)7-6-11-8(14-7)4-5-9(12)13/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyXNMKWWHNOUBLMF-UHFFFAOYSA-N
XLogP1.99
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoic 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 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoic acid?
The IUPAC name of 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoic acid (CID 68759265) is 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoic acid?
The canonical SMILES for 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoic acid is CC(C)(C)c1cnc(CCC(=O)O)o1.
What is the InChIKey of 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoic acid?
The InChIKey is XNMKWWHNOUBLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-10(2,3)7-6-11-8(14-7)4-5-9(12)13/h6H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoic acid?
3-(5-tert-butyl-1,3-oxazol-2-yl)propanoic acid has a molecular weight of 197.23 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,3-oxazol-2-yl)propanoic acid is sourced from PubChem (CID 68759265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).