2-(3-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylic acid

C11H11NO5 — CID 102953899

IUPAC2-(3-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylic acid
SMILESO=C(O)c1nc(C2CC3CC3C2)oc1C(=O)O
InChIInChI=1S/C11H11NO5/c13-10(14)7-8(11(15)16)17-9(12-7)6-2-4-1-5(4)3-6/h4-6H,1-3H2,(H,13,14)(H,15,16)
InChIKeyFTBARMUHPXPEIK-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.58
Rot. Bonds3

About 2-(3-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylic acid

2-(3-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylic acid (PubChem CID 102953899) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-(3-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylic acid.

Molecular Properties

Compound Name2-(3-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylic acid
PubChem CID102953899
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name2-(3-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylic acid
SMILESO=C(O)c1nc(C2CC3CC3C2)oc1C(=O)O
InChIInChI=1S/C11H11NO5/c13-10(14)7-8(11(15)16)17-9(12-7)6-2-4-1-5(4)3-6/h4-6H,1-3H2,(H,13,14)(H,15,16)
InChIKeyFTBARMUHPXPEIK-UHFFFAOYSA-N
XLogP1.58
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylic acid?
The IUPAC name of 2-(3-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylic acid (CID 102953899) is 2-(3-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylic acid.
What is the SMILES notation for 2-(3-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylic acid?
The canonical SMILES for 2-(3-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylic acid is O=C(O)c1nc(C2CC3CC3C2)oc1C(=O)O.
What is the InChIKey of 2-(3-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylic acid?
The InChIKey is FTBARMUHPXPEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c13-10(14)7-8(11(15)16)17-9(12-7)6-2-4-1-5(4)3-6/h4-6H,1-3H2,(H,13,14)(H,15,16).
What are the key properties of 2-(3-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylic acid?
2-(3-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylic acid has a molecular weight of 237.21 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylic acid is sourced from PubChem (CID 102953899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).