5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazole-2-carboxylic acid

C8H8N2O4 — CID 130900958

IUPAC5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(C2C3COCC32)o1
InChIInChI=1S/C8H8N2O4/c11-8(12)7-10-9-6(14-7)5-3-1-13-2-4(3)5/h3-5H,1-2H2,(H,11,12)
InChIKeyVEBBHPNIRQDUSE-UHFFFAOYSA-N
MW196.16 g/mol
LogP0.13
Rot. Bonds2

About 5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazole-2-carboxylic acid

5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazole-2-carboxylic acid (PubChem CID 130900958) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazole-2-carboxylic acid
PubChem CID130900958
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazole-2-carboxylic acid
SMILESO=C(O)c1nnc(C2C3COCC32)o1
InChIInChI=1S/C8H8N2O4/c11-8(12)7-10-9-6(14-7)5-3-1-13-2-4(3)5/h3-5H,1-2H2,(H,11,12)
InChIKeyVEBBHPNIRQDUSE-UHFFFAOYSA-N
XLogP0.13
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazole-2-carboxylic acid?
The IUPAC name of 5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazole-2-carboxylic acid (CID 130900958) is 5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazole-2-carboxylic acid.
What is the SMILES notation for 5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazole-2-carboxylic acid?
The canonical SMILES for 5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazole-2-carboxylic acid is O=C(O)c1nnc(C2C3COCC32)o1.
What is the InChIKey of 5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazole-2-carboxylic acid?
The InChIKey is VEBBHPNIRQDUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c11-8(12)7-10-9-6(14-7)5-3-1-13-2-4(3)5/h3-5H,1-2H2,(H,11,12).
What are the key properties of 5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazole-2-carboxylic acid?
5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazole-2-carboxylic acid has a molecular weight of 196.16 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,3,4-oxadiazole-2-carboxylic acid is sourced from PubChem (CID 130900958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).