tert-butyl 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 2-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate

C121H164N18O24 — CID 167687039

About tert-butyl 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 2-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate

tert-butyl 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 2-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate (PubChem CID 167687039) has the molecular formula C121H164N18O24 and a molecular weight of 2254.74 g/mol. Its IUPAC name is tert-butyl 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 2-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 2-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
• PubChem CID: 167687039
• Molecular Formula: C121H164N18O24
• Molecular Weight: 2254.74 g/mol
• Exact Mass: 2253.22
• IUPAC Name: tert-butyl 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 2-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CC2(CCN(c3ccc4[nH]c(=O)oc4c3)CC2)C1.CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1ccc3[nH]c(=O)oc3c1)CC2.CC(C)(C)OC(=O)N1CCC2(CC1)CN(c1ccc3[nH]c(=O)oc3c1)C2.Cn1c(=O)oc2cc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)ccc21.Cn1c(=O)oc2cc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)ccc21.Cn1c(=O)oc2cc(N3CCC4(CCN(C(=O)OC(C)(C)C)CC4)CC3)ccc21
• InChI: InChI=1S/C22H31N3O4.C21H29N3O4.2C20H27N3O4.2C19H25N3O4/c1-21(2,3)29-20(27)25-13-9-22(10-14-25)7-11-24(12-8-22)16-5-6-17-18(15-16)28-19(26)23(17)4;1-20(2,3)28-19(26)24-12-8-21(9-13-24)6-10-23(11-7-21)15-4-5-16-17(14-15)27-18(25)22-16;1-19(2,3)27-18(25)22-9-7-20(8-10-22)12-23(13-20)14-5-6-15-16(11-14)26-17(24)21(15)4;1-19(2,3)27-18(25)23-12-20(13-23)7-9-22(10-8-20)14-5-6-15-16(11-14)26-17(24)21(15)4;1-18(2,3)26-17(24)21-8-6-19(7-9-21)11-22(12-19)13-4-5-14-15(10-13)25-16(23)20-14;1-18(2,3)26-17(24)22-11-19(12-22)6-8-21(9-7-19)13-4-5-14-15(10-13)25-16(23)20-14/h5-6,15H,7-14H2,1-4H3;4-5,14H,6-13H2,1-3H3,(H,22,25);2*5-6,11H,7-10,12-13H2,1-4H3;2*4-5,10H,6-9,11-12H2,1-3H3,(H,20,23)
• InChIKey: WJDSCQQJBQMOFC-UHFFFAOYSA-N
• XLogP: 19.34
• TPSA: 440.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 6
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2254.74
LogP ≤ 5	19.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 2-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?

The IUPAC name of tert-butyl 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 2-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate (CID 167687039) is tert-butyl 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 2-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate.

What is the SMILES notation for tert-butyl 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 2-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?

The canonical SMILES for tert-butyl 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 2-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate is CC(C)(C)OC(=O)N1CC2(CCN(c3ccc4[nH]c(=O)oc4c3)CC2)C1.CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1ccc3[nH]c(=O)oc3c1)CC2.CC(C)(C)OC(=O)N1CCC2(CC1)CN(c1ccc3[nH]c(=O)oc3c1)C2.Cn1c(=O)oc2cc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)C3)ccc21.Cn1c(=O)oc2cc(N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)ccc21.Cn1c(=O)oc2cc(N3CCC4(CCN(C(=O)OC(C)(C)C)CC4)CC3)ccc21.

What is the InChIKey of tert-butyl 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 2-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?

The InChIKey is WJDSCQQJBQMOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4.C21H29N3O4.2C20H27N3O4.2C19H25N3O4/c1-21(2,3)29-20(27)25-13-9-22(10-14-25)7-11-24(12-8-22)16-5-6-17-18(15-16)28-19(26)23(17)4;1-20(2,3)28-19(26)24-12-8-21(9-13-24)6-10-23(11-7-21)15-4-5-16-17(14-15)27-18(25)22-16;1-19(2,3)27-18(25)22-9-7-20(8-10-22)12-23(13-20)14-5-6-15-16(11-14)26-17(24)21(15)4;1-19(2,3)27-18(25)23-12-20(13-23)7-9-22(10-8-20)14-5-6-15-16(11-14)26-17(24)21(15)4;1-18(2,3)26-17(24)21-8-6-19(7-9-21)11-22(12-19)13-4-5-14-15(10-13)25-16(23)20-14;1-18(2,3)26-17(24)22-11-19(12-22)6-8-21(9-7-19)13-4-5-14-15(10-13)25-16(23)20-14/h5-6,15H,7-14H2,1-4H3;4-5,14H,6-13H2,1-3H3,(H,22,25);2*5-6,11H,7-10,12-13H2,1-4H3;2*4-5,10H,6-9,11-12H2,1-3H3,(H,20,23).

What are the key properties of tert-butyl 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 2-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?

tert-butyl 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 2-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate has a molecular weight of 2254.74 g/mol, XLogP of 19.34, 6 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 2-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;tert-butyl 7-(2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 9-(2-oxo-3H-1,3-benzoxazol-6-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 167687039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).