1,3-oxazole;propanoic acid

C6H9NO3 — CID 130237723

IUPAC1,3-oxazole;propanoic acid
SMILESCCC(=O)O.c1cocn1
InChIInChI=1S/C3H3NO.C3H6O2/c1-2-5-3-4-1;1-2-3(4)5/h1-3H;2H2,1H3,(H,4,5)
InChIKeyRWVXXFRZBRLQEI-UHFFFAOYSA-N
MW143.14 g/mol
LogP1.16
Rot. Bonds1

About 1,3-oxazole;propanoic acid

1,3-oxazole;propanoic acid (PubChem CID 130237723) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 1,3-oxazole;propanoic acid.

Molecular Properties

Compound Name1,3-oxazole;propanoic acid
PubChem CID130237723
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name1,3-oxazole;propanoic acid
SMILESCCC(=O)O.c1cocn1
InChIInChI=1S/C3H3NO.C3H6O2/c1-2-5-3-4-1;1-2-3(4)5/h1-3H;2H2,1H3,(H,4,5)
InChIKeyRWVXXFRZBRLQEI-UHFFFAOYSA-N
XLogP1.16
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazole;propanoic acid?
The IUPAC name of 1,3-oxazole;propanoic acid (CID 130237723) is 1,3-oxazole;propanoic acid.
What is the SMILES notation for 1,3-oxazole;propanoic acid?
The canonical SMILES for 1,3-oxazole;propanoic acid is CCC(=O)O.c1cocn1.
What is the InChIKey of 1,3-oxazole;propanoic acid?
The InChIKey is RWVXXFRZBRLQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO.C3H6O2/c1-2-5-3-4-1;1-2-3(4)5/h1-3H;2H2,1H3,(H,4,5).
What are the key properties of 1,3-oxazole;propanoic acid?
1,3-oxazole;propanoic acid has a molecular weight of 143.14 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole;propanoic acid is sourced from PubChem (CID 130237723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).