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

C8H9NO3 — CID 82597267

IUPAC1-(1,3-oxazol-2-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ncco2)CCC1
InChIInChI=1S/C8H9NO3/c10-7(11)8(2-1-3-8)6-9-4-5-12-6/h4-5H,1-3H2,(H,10,11)
InChIKeyIMEYRLBZGVGHAW-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.18
Rot. Bonds2

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

1-(1,3-oxazol-2-yl)cyclobutane-1-carboxylic acid (PubChem CID 82597267) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 1-(1,3-oxazol-2-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-oxazol-2-yl)cyclobutane-1-carboxylic acid
PubChem CID82597267
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name1-(1,3-oxazol-2-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ncco2)CCC1
InChIInChI=1S/C8H9NO3/c10-7(11)8(2-1-3-8)6-9-4-5-12-6/h4-5H,1-3H2,(H,10,11)
InChIKeyIMEYRLBZGVGHAW-UHFFFAOYSA-N
XLogP1.18
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazol-2-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(1,3-oxazol-2-yl)cyclobutane-1-carboxylic acid (CID 82597267) is 1-(1,3-oxazol-2-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(1,3-oxazol-2-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(1,3-oxazol-2-yl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2ncco2)CCC1.
What is the InChIKey of 1-(1,3-oxazol-2-yl)cyclobutane-1-carboxylic acid?
The InChIKey is IMEYRLBZGVGHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c10-7(11)8(2-1-3-8)6-9-4-5-12-6/h4-5H,1-3H2,(H,10,11).
What are the key properties of 1-(1,3-oxazol-2-yl)cyclobutane-1-carboxylic acid?
1-(1,3-oxazol-2-yl)cyclobutane-1-carboxylic acid has a molecular weight of 167.16 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazol-2-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 82597267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).