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

C10H15NO3 — CID 67945784

IUPAC2-ethyl-4-(2-methyl-1,3-oxazol-4-yl)butanoic acid
SMILESCCC(CCc1coc(C)n1)C(=O)O
InChIInChI=1S/C10H15NO3/c1-3-8(10(12)13)4-5-9-6-14-7(2)11-9/h6,8H,3-5H2,1-2H3,(H,12,13)
InChIKeyOFZYACGJVWAWOV-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.03
Rot. Bonds5

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

2-ethyl-4-(2-methyl-1,3-oxazol-4-yl)butanoic acid (PubChem CID 67945784) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-ethyl-4-(2-methyl-1,3-oxazol-4-yl)butanoic acid.

Molecular Properties

Compound Name2-ethyl-4-(2-methyl-1,3-oxazol-4-yl)butanoic acid
PubChem CID67945784
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-ethyl-4-(2-methyl-1,3-oxazol-4-yl)butanoic acid
SMILESCCC(CCc1coc(C)n1)C(=O)O
InChIInChI=1S/C10H15NO3/c1-3-8(10(12)13)4-5-9-6-14-7(2)11-9/h6,8H,3-5H2,1-2H3,(H,12,13)
InChIKeyOFZYACGJVWAWOV-UHFFFAOYSA-N
XLogP2.03
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-methyl-1,3-oxazol-4-yl)butanoic acid?
The IUPAC name of 2-ethyl-4-(2-methyl-1,3-oxazol-4-yl)butanoic acid (CID 67945784) is 2-ethyl-4-(2-methyl-1,3-oxazol-4-yl)butanoic acid.
What is the SMILES notation for 2-ethyl-4-(2-methyl-1,3-oxazol-4-yl)butanoic acid?
The canonical SMILES for 2-ethyl-4-(2-methyl-1,3-oxazol-4-yl)butanoic acid is CCC(CCc1coc(C)n1)C(=O)O.
What is the InChIKey of 2-ethyl-4-(2-methyl-1,3-oxazol-4-yl)butanoic acid?
The InChIKey is OFZYACGJVWAWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-8(10(12)13)4-5-9-6-14-7(2)11-9/h6,8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-ethyl-4-(2-methyl-1,3-oxazol-4-yl)butanoic acid?
2-ethyl-4-(2-methyl-1,3-oxazol-4-yl)butanoic acid has a molecular weight of 197.23 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-methyl-1,3-oxazol-4-yl)butanoic acid is sourced from PubChem (CID 67945784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).