3-(3-ethyl-1,2-oxazol-4-yl)propanoic acid

C8H11NO3 — CID 82597900

IUPAC3-(3-ethyl-1,2-oxazol-4-yl)propanoic acid
SMILESCCc1nocc1CCC(=O)O
InChIInChI=1S/C8H11NO3/c1-2-7-6(5-12-9-7)3-4-8(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKeyOCXUUYVNEZXXRI-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.25
Rot. Bonds4

About 3-(3-ethyl-1,2-oxazol-4-yl)propanoic acid

3-(3-ethyl-1,2-oxazol-4-yl)propanoic acid (PubChem CID 82597900) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-(3-ethyl-1,2-oxazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-ethyl-1,2-oxazol-4-yl)propanoic acid
PubChem CID82597900
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name3-(3-ethyl-1,2-oxazol-4-yl)propanoic acid
SMILESCCc1nocc1CCC(=O)O
InChIInChI=1S/C8H11NO3/c1-2-7-6(5-12-9-7)3-4-8(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKeyOCXUUYVNEZXXRI-UHFFFAOYSA-N
XLogP1.25
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-ethyl-1,2-oxazol-4-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

Related Compounds

3-(4-propyl-1,2-oxazol-3-yl)propanoic acid
CID 105422800
4-ethyl-1,2-oxazole-3-carboxylic acid
CID 53421780
4-[[(3-ethyl-1,2-oxazol-4-yl)methylamino]methyl]benzoic acid
CID 122036043
4-ethyl-3-(fluoromethyl)-1,2-oxazole
CID 170598698
6-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 154766261
2-[3-[(3-ethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]-4-methylfuran-2-yl]acetic acid
CID 126840551
2-(4-ethyl-1,2-oxazol-3-yl)-N-methylethanamine
CID 105422622
2-[(3-ethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]acetamide
CID 122149596
3-(4-ethyl-1,3-oxazol-2-yl)propanoic acid
CID 82412935
3-(1,2-oxazol-4-yl)propanoic acid
CID 23006336
3-[4-(2-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid
CID 105423723
(4-amino-1,2-oxazol-3-yl)methanol;propanoic acid
CID 67318719

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1,2-oxazol-4-yl)propanoic acid?
The IUPAC name of 3-(3-ethyl-1,2-oxazol-4-yl)propanoic acid (CID 82597900) is 3-(3-ethyl-1,2-oxazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(3-ethyl-1,2-oxazol-4-yl)propanoic acid?
The canonical SMILES for 3-(3-ethyl-1,2-oxazol-4-yl)propanoic acid is CCc1nocc1CCC(=O)O.
What is the InChIKey of 3-(3-ethyl-1,2-oxazol-4-yl)propanoic acid?
The InChIKey is OCXUUYVNEZXXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-7-6(5-12-9-7)3-4-8(10)11/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of 3-(3-ethyl-1,2-oxazol-4-yl)propanoic acid?
3-(3-ethyl-1,2-oxazol-4-yl)propanoic acid has a molecular weight of 169.18 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1,2-oxazol-4-yl)propanoic acid is sourced from PubChem (CID 82597900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).