5-(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)-1,2-oxazole

C11H17N3O — CID 10013253

IUPAC5-(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)-1,2-oxazole
SMILESCN1CCC2(CCCN2c2ccno2)C1
InChIInChI=1S/C11H17N3O/c1-13-8-5-11(9-13)4-2-7-14(11)10-3-6-12-15-10/h3,6H,2,4-5,7-9H2,1H3
InChIKeyAIUHFFDBUORJPY-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.35
Rot. Bonds1

About 5-(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)-1,2-oxazole

5-(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)-1,2-oxazole (PubChem CID 10013253) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)-1,2-oxazole
PubChem CID10013253
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)-1,2-oxazole
SMILESCN1CCC2(CCCN2c2ccno2)C1
InChIInChI=1S/C11H17N3O/c1-13-8-5-11(9-13)4-2-7-14(11)10-3-6-12-15-10/h3,6H,2,4-5,7-9H2,1H3
InChIKeyAIUHFFDBUORJPY-UHFFFAOYSA-N
XLogP1.35
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)-1,2-oxazole?
The IUPAC name of 5-(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)-1,2-oxazole (CID 10013253) is 5-(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)-1,2-oxazole.
What is the SMILES notation for 5-(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)-1,2-oxazole?
The canonical SMILES for 5-(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)-1,2-oxazole is CN1CCC2(CCCN2c2ccno2)C1.
What is the InChIKey of 5-(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)-1,2-oxazole?
The InChIKey is AIUHFFDBUORJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-8-5-11(9-13)4-2-7-14(11)10-3-6-12-15-10/h3,6H,2,4-5,7-9H2,1H3.
What are the key properties of 5-(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)-1,2-oxazole?
5-(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)-1,2-oxazole has a molecular weight of 207.28 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methyl-1,7-diazaspiro[4.4]nonan-1-yl)-1,2-oxazole is sourced from PubChem (CID 10013253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).