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

C9H13NO4 — CID 3161865

IUPAC3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoic acid
SMILESCC(C)Oc1cc(CCC(=O)O)on1
InChIInChI=1S/C9H13NO4/c1-6(2)13-8-5-7(14-10-8)3-4-9(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyDNEJAQNUBWVFHS-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.48
Rot. Bonds5

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

3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoic acid (PubChem CID 3161865) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoic acid
PubChem CID3161865
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoic acid
SMILESCC(C)Oc1cc(CCC(=O)O)on1
InChIInChI=1S/C9H13NO4/c1-6(2)13-8-5-7(14-10-8)3-4-9(11)12/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKeyDNEJAQNUBWVFHS-UHFFFAOYSA-N
XLogP1.48
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoic acid?
The IUPAC name of 3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoic acid (CID 3161865) is 3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoic acid?
The canonical SMILES for 3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoic acid is CC(C)Oc1cc(CCC(=O)O)on1.
What is the InChIKey of 3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoic acid?
The InChIKey is DNEJAQNUBWVFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-6(2)13-8-5-7(14-10-8)3-4-9(11)12/h5-6H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoic acid?
3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoic acid has a molecular weight of 199.21 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-yloxy-1,2-oxazol-5-yl)propanoic acid is sourced from PubChem (CID 3161865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).