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

C6H7NO3 — CID 23006336

IUPAC3-(1,2-oxazol-4-yl)propanoic acid
SMILESO=C(O)CCc1cnoc1
InChIInChI=1S/C6H7NO3/c8-6(9)2-1-5-3-7-10-4-5/h3-4H,1-2H2,(H,8,9)
InChIKeyYSXIJTDOCXJNHI-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.69
Rot. Bonds3

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

3-(1,2-oxazol-4-yl)propanoic acid (PubChem CID 23006336) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 3-(1,2-oxazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(1,2-oxazol-4-yl)propanoic acid
PubChem CID23006336
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name3-(1,2-oxazol-4-yl)propanoic acid
SMILESO=C(O)CCc1cnoc1
InChIInChI=1S/C6H7NO3/c8-6(9)2-1-5-3-7-10-4-5/h3-4H,1-2H2,(H,8,9)
InChIKeyYSXIJTDOCXJNHI-UHFFFAOYSA-N
XLogP0.69
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,2-oxazol-4-yl)butanoic acid
CID 45099096
2-[carboxymethyl(1,2-oxazol-4-ylmethyl)amino]acetic acid
CID 63644452
3-(2-tert-butylpyrimidin-5-yl)propanoic acid
CID 82395371
3-(1,2-oxazol-4-ylmethylamino)propanamide
CID 60869054
2-[1,2-oxazol-4-ylmethyl(prop-2-enyl)amino]acetic acid
CID 79276600
3-[5-(carboxymethyl)pyrimidin-2-yl]propanoic acid
CID 14056318
3-(5-chlorofuran-3-yl)propanoic acid
CID 82653613
3-(1,2-oxazol-4-ylsulfamoyl)propanoic acid
CID 62904166
3-(3-ethyl-1,2-oxazol-4-yl)propanoic acid
CID 82597900
4-(1,2-oxazol-4-ylcarbamoylamino)-4-oxobutanoic acid
CID 62904536
2,2,3-trimethyl-3-(1,2-oxazol-4-ylmethylamino)butanoic acid
CID 65265210
lanthanum;3-phenylpropanoic acid
CID 174887955

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-4-yl)propanoic acid?
The IUPAC name of 3-(1,2-oxazol-4-yl)propanoic acid (CID 23006336) is 3-(1,2-oxazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(1,2-oxazol-4-yl)propanoic acid?
The canonical SMILES for 3-(1,2-oxazol-4-yl)propanoic acid is O=C(O)CCc1cnoc1.
What is the InChIKey of 3-(1,2-oxazol-4-yl)propanoic acid?
The InChIKey is YSXIJTDOCXJNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c8-6(9)2-1-5-3-7-10-4-5/h3-4H,1-2H2,(H,8,9).
What are the key properties of 3-(1,2-oxazol-4-yl)propanoic acid?
3-(1,2-oxazol-4-yl)propanoic acid has a molecular weight of 141.13 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-4-yl)propanoic acid is sourced from PubChem (CID 23006336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).