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

C8H11NO3 — CID 84653363

IUPAC3-(5-ethyl-1,3-oxazol-2-yl)propanoic acid
SMILESCCc1cnc(CCC(=O)O)o1
InChIInChI=1S/C8H11NO3/c1-2-6-5-9-7(12-6)3-4-8(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKeyRPWFNEZOVGQSRN-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.25
Rot. Bonds4

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

3-(5-ethyl-1,3-oxazol-2-yl)propanoic acid (PubChem CID 84653363) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-(5-ethyl-1,3-oxazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-ethyl-1,3-oxazol-2-yl)propanoic acid
PubChem CID84653363
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name3-(5-ethyl-1,3-oxazol-2-yl)propanoic acid
SMILESCCc1cnc(CCC(=O)O)o1
InChIInChI=1S/C8H11NO3/c1-2-6-5-9-7(12-6)3-4-8(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKeyRPWFNEZOVGQSRN-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

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Related Compounds

5-Ethyl-2-methyloxazole
CID 528407
2-(2-Methyl-1,3-oxazol-5-yl)acetic acid
CID 58189150
Methyl 3-(2-methyl-1,3-oxazol-5-yl)propanoate
CID 89260249
2,5-Diethyloxazole
CID 3016237
2-(2-Tert-butyl-1,3-oxazol-5-YL)acetic acid
CID 82407315
Oxazole, 5-ethyl-2-propyl
CID 528410
Methyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate
CID 86014949
Ethyl 3-(5-methyl-1,3-oxazol-2-yl)propanoate
CID 134997222
3-Fluoro-3-(5-methyl-1,3-oxazol-2-yl)butanoic acid
CID 83817640
2-[2-(Fluoromethyl)-1,3-oxazol-5-yl]acetic acid
CID 84764060
3-[5-(Fluoromethyl)-1,3-oxazol-2-yl]propanoic acid
CID 84766366
2-[2-(Fluoromethyl)-1,3-oxazol-5-yl]propanoic acid
CID 84766371

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1,3-oxazol-2-yl)propanoic acid?
The IUPAC name of 3-(5-ethyl-1,3-oxazol-2-yl)propanoic acid (CID 84653363) is 3-(5-ethyl-1,3-oxazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-ethyl-1,3-oxazol-2-yl)propanoic acid?
The canonical SMILES for 3-(5-ethyl-1,3-oxazol-2-yl)propanoic acid is CCc1cnc(CCC(=O)O)o1.
What is the InChIKey of 3-(5-ethyl-1,3-oxazol-2-yl)propanoic acid?
The InChIKey is RPWFNEZOVGQSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-6-5-9-7(12-6)3-4-8(10)11/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of 3-(5-ethyl-1,3-oxazol-2-yl)propanoic acid?
3-(5-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-(5-ethyl-1,3-oxazol-2-yl)propanoic acid is sourced from PubChem (CID 84653363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).