[7-(3-tert-butyl-1,2-oxazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C21H32N2O3 — CID 164710405

IUPAC[7-(3-tert-butyl-1,2-oxazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCC1(O)CC(C(=O)N2CC3(CCC(c4cc(C(C)(C)C)no4)CC3)C2)C1
InChIInChI=1S/C21H32N2O3/c1-19(2,3)17-9-16(26-22-17)14-5-7-21(8-6-14)12-23(13-21)18(24)15-10-20(4,25)11-15/h9,14-15,25H,5-8,10-13H2,1-4H3
InChIKeyPAETXRGNEMIOJF-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.62
Rot. Bonds2

About [7-(3-tert-butyl-1,2-oxazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

[7-(3-tert-butyl-1,2-oxazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 164710405) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is [7-(3-tert-butyl-1,2-oxazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

Compound Name[7-(3-tert-butyl-1,2-oxazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
PubChem CID164710405
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name[7-(3-tert-butyl-1,2-oxazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCC1(O)CC(C(=O)N2CC3(CCC(c4cc(C(C)(C)C)no4)CC3)C2)C1
InChIInChI=1S/C21H32N2O3/c1-19(2,3)17-9-16(26-22-17)14-5-7-21(8-6-14)12-23(13-21)18(24)15-10-20(4,25)11-15/h9,14-15,25H,5-8,10-13H2,1-4H3
InChIKeyPAETXRGNEMIOJF-UHFFFAOYSA-N
XLogP3.62
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-(3-tert-butyl-1,2-oxazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The IUPAC name of [7-(3-tert-butyl-1,2-oxazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 164710405) is [7-(3-tert-butyl-1,2-oxazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.
What is the SMILES notation for [7-(3-tert-butyl-1,2-oxazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The canonical SMILES for [7-(3-tert-butyl-1,2-oxazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is CC1(O)CC(C(=O)N2CC3(CCC(c4cc(C(C)(C)C)no4)CC3)C2)C1.
What is the InChIKey of [7-(3-tert-butyl-1,2-oxazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The InChIKey is PAETXRGNEMIOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-19(2,3)17-9-16(26-22-17)14-5-7-21(8-6-14)12-23(13-21)18(24)15-10-20(4,25)11-15/h9,14-15,25H,5-8,10-13H2,1-4H3.
What are the key properties of [7-(3-tert-butyl-1,2-oxazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
[7-(3-tert-butyl-1,2-oxazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 360.50 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-tert-butyl-1,2-oxazol-5-yl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 164710405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).