(2S)-6-hydroxy-2-(1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one

C8H10N4O3 — CID 122595100

IUPAC(2S)-6-hydroxy-2-(1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESO=C1N(O)C2CC[C@@H](c3nnco3)N1C2
InChIInChI=1S/C8H10N4O3/c13-8-11-3-5(12(8)14)1-2-6(11)7-10-9-4-15-7/h4-6,14H,1-3H2/t5?,6-/m0/s1
InChIKeyQVVVDTOVKQYKIB-GDVGLLTNSA-N
MW210.19 g/mol
LogP0.40
Rot. Bonds1

About (2S)-6-hydroxy-2-(1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one

(2S)-6-hydroxy-2-(1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one (PubChem CID 122595100) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is (2S)-6-hydroxy-2-(1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name(2S)-6-hydroxy-2-(1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one
PubChem CID122595100
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name(2S)-6-hydroxy-2-(1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESO=C1N(O)C2CC[C@@H](c3nnco3)N1C2
InChIInChI=1S/C8H10N4O3/c13-8-11-3-5(12(8)14)1-2-6(11)7-10-9-4-15-7/h4-6,14H,1-3H2/t5?,6-/m0/s1
InChIKeyQVVVDTOVKQYKIB-GDVGLLTNSA-N
XLogP0.40
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

Analyze (2S)-6-hydroxy-2-(1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-6-hydroxy-2-(1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one?
The IUPAC name of (2S)-6-hydroxy-2-(1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one (CID 122595100) is (2S)-6-hydroxy-2-(1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for (2S)-6-hydroxy-2-(1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one?
The canonical SMILES for (2S)-6-hydroxy-2-(1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one is O=C1N(O)C2CC[C@@H](c3nnco3)N1C2.
What is the InChIKey of (2S)-6-hydroxy-2-(1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one?
The InChIKey is QVVVDTOVKQYKIB-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H10N4O3/c13-8-11-3-5(12(8)14)1-2-6(11)7-10-9-4-15-7/h4-6,14H,1-3H2/t5?,6-/m0/s1.
What are the key properties of (2S)-6-hydroxy-2-(1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one?
(2S)-6-hydroxy-2-(1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one has a molecular weight of 210.19 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-hydroxy-2-(1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 122595100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).