(5R)-2-(1,2-oxazol-3-ylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione

C11H12N2O3S — CID 96529376

IUPAC(5R)-2-(1,2-oxazol-3-ylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1C[C@@]2(CCSC2)C(=O)N1Cc1ccon1
InChIInChI=1S/C11H12N2O3S/c14-9-5-11(2-4-17-7-11)10(15)13(9)6-8-1-3-16-12-8/h1,3H,2,4-7H2/t11-/m1/s1
InChIKeyQCRFXBZUDLUBJX-LLVKDONJSA-N
MW252.29 g/mol
LogP1.06
Rot. Bonds2

About (5R)-2-(1,2-oxazol-3-ylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione

(5R)-2-(1,2-oxazol-3-ylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 96529376) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is (5R)-2-(1,2-oxazol-3-ylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name(5R)-2-(1,2-oxazol-3-ylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID96529376
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name(5R)-2-(1,2-oxazol-3-ylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1C[C@@]2(CCSC2)C(=O)N1Cc1ccon1
InChIInChI=1S/C11H12N2O3S/c14-9-5-11(2-4-17-7-11)10(15)13(9)6-8-1-3-16-12-8/h1,3H,2,4-7H2/t11-/m1/s1
InChIKeyQCRFXBZUDLUBJX-LLVKDONJSA-N
XLogP1.06
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-(1,2-oxazol-3-ylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of (5R)-2-(1,2-oxazol-3-ylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione (CID 96529376) is (5R)-2-(1,2-oxazol-3-ylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for (5R)-2-(1,2-oxazol-3-ylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for (5R)-2-(1,2-oxazol-3-ylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione is O=C1C[C@@]2(CCSC2)C(=O)N1Cc1ccon1.
What is the InChIKey of (5R)-2-(1,2-oxazol-3-ylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is QCRFXBZUDLUBJX-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12N2O3S/c14-9-5-11(2-4-17-7-11)10(15)13(9)6-8-1-3-16-12-8/h1,3H,2,4-7H2/t11-/m1/s1.
What are the key properties of (5R)-2-(1,2-oxazol-3-ylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione?
(5R)-2-(1,2-oxazol-3-ylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 252.29 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(1,2-oxazol-3-ylmethyl)-7-thia-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 96529376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).