5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid

C7H7NO3 — CID 23006221

IUPAC5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid
SMILESO=C(O)c1noc2c1CCC2
InChIInChI=1S/C7H7NO3/c9-7(10)6-4-2-1-3-5(4)11-8-6/h1-3H2,(H,9,10)
InChIKeyDCFBJOQPEAXQKB-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.86
Rot. Bonds1

About 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid

5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid (PubChem CID 23006221) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid
PubChem CID23006221
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid
SMILESO=C(O)c1noc2c1CCC2
InChIInChI=1S/C7H7NO3/c9-7(10)6-4-2-1-3-5(4)11-8-6/h1-3H2,(H,9,10)
InChIKeyDCFBJOQPEAXQKB-UHFFFAOYSA-N
XLogP0.86
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid (CID 23006221) is 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid is O=C(O)c1noc2c1CCC2.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid?
The InChIKey is DCFBJOQPEAXQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c9-7(10)6-4-2-1-3-5(4)11-8-6/h1-3H2,(H,9,10).
What are the key properties of 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid?
5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid has a molecular weight of 153.14 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carboxylic acid is sourced from PubChem (CID 23006221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).