1-(3-oxo-1,2-oxazol-5-yl)cyclobutane-1-carboxylic acid

C8H9NO4 — CID 83856615

IUPAC1-(3-oxo-1,2-oxazol-5-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(=O)[nH]o2)CCC1
InChIInChI=1S/C8H9NO4/c10-6-4-5(13-9-6)8(7(11)12)2-1-3-8/h4H,1-3H2,(H,9,10)(H,11,12)
InChIKeyAEMNRCCUCSWORC-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.47
Rot. Bonds2

About 1-(3-oxo-1,2-oxazol-5-yl)cyclobutane-1-carboxylic acid

1-(3-oxo-1,2-oxazol-5-yl)cyclobutane-1-carboxylic acid (PubChem CID 83856615) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 1-(3-oxo-1,2-oxazol-5-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-oxo-1,2-oxazol-5-yl)cyclobutane-1-carboxylic acid
PubChem CID83856615
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name1-(3-oxo-1,2-oxazol-5-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(=O)[nH]o2)CCC1
InChIInChI=1S/C8H9NO4/c10-6-4-5(13-9-6)8(7(11)12)2-1-3-8/h4H,1-3H2,(H,9,10)(H,11,12)
InChIKeyAEMNRCCUCSWORC-UHFFFAOYSA-N
XLogP0.47
TPSA83.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-oxo-1,2-oxazol-5-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(3-oxo-1,2-oxazol-5-yl)cyclobutane-1-carboxylic acid (CID 83856615) is 1-(3-oxo-1,2-oxazol-5-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(3-oxo-1,2-oxazol-5-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(3-oxo-1,2-oxazol-5-yl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2cc(=O)[nH]o2)CCC1.
What is the InChIKey of 1-(3-oxo-1,2-oxazol-5-yl)cyclobutane-1-carboxylic acid?
The InChIKey is AEMNRCCUCSWORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c10-6-4-5(13-9-6)8(7(11)12)2-1-3-8/h4H,1-3H2,(H,9,10)(H,11,12).
What are the key properties of 1-(3-oxo-1,2-oxazol-5-yl)cyclobutane-1-carboxylic acid?
1-(3-oxo-1,2-oxazol-5-yl)cyclobutane-1-carboxylic acid has a molecular weight of 183.16 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-1,2-oxazol-5-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 83856615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).