3-(1,2-oxazol-5-yl)propanoate

C6H6NO3- — CID 7449321

IUPAC3-(1,2-oxazol-5-yl)propanoate
SMILESO=C([O-])CCc1ccno1
InChIInChI=1S/C6H7NO3/c8-6(9)2-1-5-3-4-7-10-5/h3-4H,1-2H2,(H,8,9)/p-1
InChIKeyYFYBODHSQLOQOF-UHFFFAOYSA-M
MW140.12 g/mol
LogP-0.64
Rot. Bonds3

About 3-(1,2-oxazol-5-yl)propanoate

3-(1,2-oxazol-5-yl)propanoate (PubChem CID 7449321) has the molecular formula C6H6NO3- and a molecular weight of 140.12 g/mol. Its IUPAC name is 3-(1,2-oxazol-5-yl)propanoate.

Molecular Properties

Compound Name3-(1,2-oxazol-5-yl)propanoate
PubChem CID7449321
Molecular FormulaC6H6NO3-
Molecular Weight140.12 g/mol
Exact Mass140.04
IUPAC Name3-(1,2-oxazol-5-yl)propanoate
SMILESO=C([O-])CCc1ccno1
InChIInChI=1S/C6H7NO3/c8-6(9)2-1-5-3-4-7-10-5/h3-4H,1-2H2,(H,8,9)/p-1
InChIKeyYFYBODHSQLOQOF-UHFFFAOYSA-M
XLogP-0.64
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.12
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-5-yl)propanoate?
The IUPAC name of 3-(1,2-oxazol-5-yl)propanoate (CID 7449321) is 3-(1,2-oxazol-5-yl)propanoate.
What is the SMILES notation for 3-(1,2-oxazol-5-yl)propanoate?
The canonical SMILES for 3-(1,2-oxazol-5-yl)propanoate is O=C([O-])CCc1ccno1.
What is the InChIKey of 3-(1,2-oxazol-5-yl)propanoate?
The InChIKey is YFYBODHSQLOQOF-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7NO3/c8-6(9)2-1-5-3-4-7-10-5/h3-4H,1-2H2,(H,8,9)/p-1.
What are the key properties of 3-(1,2-oxazol-5-yl)propanoate?
3-(1,2-oxazol-5-yl)propanoate has a molecular weight of 140.12 g/mol, XLogP of -0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-5-yl)propanoate is sourced from PubChem (CID 7449321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).