2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one

C23H32N2O4 — CID 163958089

IUPAC2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
SMILESCC(C)(C)c1coc(C2CC3(CCN(C(=O)C4CC5(COC(=O)C5)C4)CC3)C2)n1
InChIInChI=1S/C23H32N2O4/c1-21(2,3)17-13-28-19(24-17)15-8-22(9-15)4-6-25(7-5-22)20(27)16-10-23(11-16)12-18(26)29-14-23/h13,15-16H,4-12,14H2,1-3H3
InChIKeySFDLVVYZRQKUBL-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.80
Rot. Bonds2

About 2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one

2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one (PubChem CID 163958089) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one.

Molecular Properties

Compound Name2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
PubChem CID163958089
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one
SMILESCC(C)(C)c1coc(C2CC3(CCN(C(=O)C4CC5(COC(=O)C5)C4)CC3)C2)n1
InChIInChI=1S/C23H32N2O4/c1-21(2,3)17-13-28-19(24-17)15-8-22(9-15)4-6-25(7-5-22)20(27)16-10-23(11-16)12-18(26)29-14-23/h13,15-16H,4-12,14H2,1-3H3
InChIKeySFDLVVYZRQKUBL-UHFFFAOYSA-N
XLogP3.80
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one?
The IUPAC name of 2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one (CID 163958089) is 2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one.
What is the SMILES notation for 2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one?
The canonical SMILES for 2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one is CC(C)(C)c1coc(C2CC3(CCN(C(=O)C4CC5(COC(=O)C5)C4)CC3)C2)n1.
What is the InChIKey of 2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one?
The InChIKey is SFDLVVYZRQKUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-21(2,3)17-13-28-19(24-17)15-8-22(9-15)4-6-25(7-5-22)20(27)16-10-23(11-16)12-18(26)29-14-23/h13,15-16H,4-12,14H2,1-3H3.
What are the key properties of 2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one?
2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one has a molecular weight of 400.52 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butyl-1,3-oxazol-2-yl)-7-azaspiro[3.5]nonane-7-carbonyl]-6-oxaspiro[3.4]octan-7-one is sourced from PubChem (CID 163958089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).