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

C8H11NO3 — CID 82412935

IUPAC3-(4-ethyl-1,3-oxazol-2-yl)propanoic acid
SMILESCCc1coc(CCC(=O)O)n1
InChIInChI=1S/C8H11NO3/c1-2-6-5-12-7(9-6)3-4-8(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKeyVXBGXQWHBSLODF-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.25
Rot. Bonds4

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

3-(4-ethyl-1,3-oxazol-2-yl)propanoic acid (PubChem CID 82412935) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-(4-ethyl-1,3-oxazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-ethyl-1,3-oxazol-2-yl)propanoic acid
PubChem CID82412935
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name3-(4-ethyl-1,3-oxazol-2-yl)propanoic acid
SMILESCCc1coc(CCC(=O)O)n1
InChIInChI=1S/C8H11NO3/c1-2-6-5-12-7(9-6)3-4-8(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKeyVXBGXQWHBSLODF-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-(4-ethyl-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

Related Compounds

3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]propanoic acid
CID 115081944
3-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115084172
4-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole
CID 122463117
3-[5-chloro-6-[2-(4-ethyl-1,3-oxazol-2-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid
CID 175053332
2-[2-(3-methoxypropyl)-1,3-oxazol-4-yl]acetic acid
CID 115081943
3-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115084021
3-(4-ethyl-1,3-thiazol-2-yl)propanoic acid
CID 39237748
3-(5-ethyl-1,3-oxazol-2-yl)propanoic acid
CID 84653363
3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115084171
3-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115083507
2-[2-(chloromethyl)-1,3-oxazol-4-yl]acetic acid
CID 174696491
4-(4-methyl-1,3-oxazol-2-yl)butan-2-one
CID 82416947

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-1,3-oxazol-2-yl)propanoic acid?
The IUPAC name of 3-(4-ethyl-1,3-oxazol-2-yl)propanoic acid (CID 82412935) is 3-(4-ethyl-1,3-oxazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-ethyl-1,3-oxazol-2-yl)propanoic acid?
The canonical SMILES for 3-(4-ethyl-1,3-oxazol-2-yl)propanoic acid is CCc1coc(CCC(=O)O)n1.
What is the InChIKey of 3-(4-ethyl-1,3-oxazol-2-yl)propanoic acid?
The InChIKey is VXBGXQWHBSLODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-6-5-12-7(9-6)3-4-8(10)11/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of 3-(4-ethyl-1,3-oxazol-2-yl)propanoic acid?
3-(4-ethyl-1,3-oxazol-2-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-(4-ethyl-1,3-oxazol-2-yl)propanoic acid is sourced from PubChem (CID 82412935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).