2-(7-azaspiro[3.5]nonan-2-yl)-4-tert-butyl-1,3-oxazole

C15H24N2O — CID 175706590

IUPAC2-(7-azaspiro[3.5]nonan-2-yl)-4-tert-butyl-1,3-oxazole
SMILESCC(C)(C)c1coc(C2CC3(CCNCC3)C2)n1
InChIInChI=1S/C15H24N2O/c1-14(2,3)12-10-18-13(17-12)11-8-15(9-11)4-6-16-7-5-15/h10-11,16H,4-9H2,1-3H3
InChIKeyGYTQUHJLGPBORX-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.22
Rot. Bonds1

About 2-(7-azaspiro[3.5]nonan-2-yl)-4-tert-butyl-1,3-oxazole

2-(7-azaspiro[3.5]nonan-2-yl)-4-tert-butyl-1,3-oxazole (PubChem CID 175706590) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(7-azaspiro[3.5]nonan-2-yl)-4-tert-butyl-1,3-oxazole.

Molecular Properties

Compound Name2-(7-azaspiro[3.5]nonan-2-yl)-4-tert-butyl-1,3-oxazole
PubChem CID175706590
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(7-azaspiro[3.5]nonan-2-yl)-4-tert-butyl-1,3-oxazole
SMILESCC(C)(C)c1coc(C2CC3(CCNCC3)C2)n1
InChIInChI=1S/C15H24N2O/c1-14(2,3)12-10-18-13(17-12)11-8-15(9-11)4-6-16-7-5-15/h10-11,16H,4-9H2,1-3H3
InChIKeyGYTQUHJLGPBORX-UHFFFAOYSA-N
XLogP3.22
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-azaspiro[3.5]nonan-2-yl)-4-tert-butyl-1,3-oxazole?
The IUPAC name of 2-(7-azaspiro[3.5]nonan-2-yl)-4-tert-butyl-1,3-oxazole (CID 175706590) is 2-(7-azaspiro[3.5]nonan-2-yl)-4-tert-butyl-1,3-oxazole.
What is the SMILES notation for 2-(7-azaspiro[3.5]nonan-2-yl)-4-tert-butyl-1,3-oxazole?
The canonical SMILES for 2-(7-azaspiro[3.5]nonan-2-yl)-4-tert-butyl-1,3-oxazole is CC(C)(C)c1coc(C2CC3(CCNCC3)C2)n1.
What is the InChIKey of 2-(7-azaspiro[3.5]nonan-2-yl)-4-tert-butyl-1,3-oxazole?
The InChIKey is GYTQUHJLGPBORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-14(2,3)12-10-18-13(17-12)11-8-15(9-11)4-6-16-7-5-15/h10-11,16H,4-9H2,1-3H3.
What are the key properties of 2-(7-azaspiro[3.5]nonan-2-yl)-4-tert-butyl-1,3-oxazole?
2-(7-azaspiro[3.5]nonan-2-yl)-4-tert-butyl-1,3-oxazole has a molecular weight of 248.37 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-azaspiro[3.5]nonan-2-yl)-4-tert-butyl-1,3-oxazole is sourced from PubChem (CID 175706590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).