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

C11H15NO4 — CID 115034902

IUPAC3-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propanoic acid
SMILESO=C(O)CCc1coc(C2CCCOC2)n1
InChIInChI=1S/C11H15NO4/c13-10(14)4-3-9-7-16-11(12-9)8-2-1-5-15-6-8/h7-8H,1-6H2,(H,13,14)
InChIKeyNPWUCWMCXKAYRO-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.59
Rot. Bonds4

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

3-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propanoic acid (PubChem CID 115034902) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propanoic acid
PubChem CID115034902
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propanoic acid
SMILESO=C(O)CCc1coc(C2CCCOC2)n1
InChIInChI=1S/C11H15NO4/c13-10(14)4-3-9-7-16-11(12-9)8-2-1-5-15-6-8/h7-8H,1-6H2,(H,13,14)
InChIKeyNPWUCWMCXKAYRO-UHFFFAOYSA-N
XLogP1.59
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propanoic acid (CID 115034902) is 3-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propanoic acid is O=C(O)CCc1coc(C2CCCOC2)n1.
What is the InChIKey of 3-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propanoic acid?
The InChIKey is NPWUCWMCXKAYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-10(14)4-3-9-7-16-11(12-9)8-2-1-5-15-6-8/h7-8H,1-6H2,(H,13,14).
What are the key properties of 3-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propanoic acid?
3-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propanoic acid has a molecular weight of 225.24 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propanoic acid is sourced from PubChem (CID 115034902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).