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

C11H17N3O — CID 10104475

IUPAC5-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-1,2-oxazole
SMILESCN1CCCC12CCN(c1ccno1)C2
InChIInChI=1S/C11H17N3O/c1-13-7-2-4-11(13)5-8-14(9-11)10-3-6-12-15-10/h3,6H,2,4-5,7-9H2,1H3
InChIKeyLTWGYJZFUYQWRA-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.35
Rot. Bonds1

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

5-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-1,2-oxazole (PubChem CID 10104475) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-1,2-oxazole
PubChem CID10104475
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-1,2-oxazole
SMILESCN1CCCC12CCN(c1ccno1)C2
InChIInChI=1S/C11H17N3O/c1-13-7-2-4-11(13)5-8-14(9-11)10-3-6-12-15-10/h3,6H,2,4-5,7-9H2,1H3
InChIKeyLTWGYJZFUYQWRA-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-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-1,2-oxazole?
The IUPAC name of 5-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-1,2-oxazole (CID 10104475) is 5-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-1,2-oxazole.
What is the SMILES notation for 5-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-1,2-oxazole?
The canonical SMILES for 5-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-1,2-oxazole is CN1CCCC12CCN(c1ccno1)C2.
What is the InChIKey of 5-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-1,2-oxazole?
The InChIKey is LTWGYJZFUYQWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-7-2-4-11(13)5-8-14(9-11)10-3-6-12-15-10/h3,6H,2,4-5,7-9H2,1H3.
What are the key properties of 5-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-1,2-oxazole?
5-(1-methyl-1,7-diazaspiro[4.4]nonan-7-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-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)-1,2-oxazole is sourced from PubChem (CID 10104475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).