tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carboxylate

C20H32N2O3 — CID 156864590

IUPACtert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(c1nc(C(C)(C)C)co1)C2
InChIInChI=1S/C20H32N2O3/c1-18(2,3)15-13-24-16(21-15)14-11-20(12-14)7-9-22(10-8-20)17(23)25-19(4,5)6/h13-14H,7-12H2,1-6H3
InChIKeyQZTZIZWVDUEGHM-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.87
Rot. Bonds1

About tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 156864590) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID156864590
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Nametert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(c1nc(C(C)(C)C)co1)C2
InChIInChI=1S/C20H32N2O3/c1-18(2,3)15-13-24-16(21-15)14-11-20(12-14)7-9-22(10-8-20)17(23)25-19(4,5)6/h13-14H,7-12H2,1-6H3
InChIKeyQZTZIZWVDUEGHM-UHFFFAOYSA-N
XLogP4.87
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carboxylate (CID 156864590) is tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC(c1nc(C(C)(C)C)co1)C2.
What is the InChIKey of tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is QZTZIZWVDUEGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-18(2,3)15-13-24-16(21-15)14-11-20(12-14)7-9-22(10-8-20)17(23)25-19(4,5)6/h13-14H,7-12H2,1-6H3.
What are the key properties of tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carboxylate?
tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 348.49 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 156864590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).