6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one

C85H109N19O14 — CID 167547614

About 6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one

6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one (PubChem CID 167547614) has the molecular formula C85H109N19O14 and a molecular weight of 1620.93 g/mol. Its IUPAC name is 6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one.

Molecular Properties

• Compound Name: 6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one
• PubChem CID: 167547614
• Molecular Formula: C85H109N19O14
• Molecular Weight: 1620.93 g/mol
• Exact Mass: 1619.84
• IUPAC Name: 6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one
• SMILES: CC1CN(c2ccc3c(c2)oc(=O)n3C)CC(C)N1.CN(C)CCn1c(=O)oc2cc(N3CCNC(C)(C)C3)ccc21.Cn1c(=O)oc2cc(N3CC4CCC(C3)N4)ccc21.Cn1c(=O)oc2cc(N3CCNC4(CC4)C3)ccc21.Cn1c(=O)oc2cc(N3CCNC4(COC4)C3)ccc21.Cn1c(=O)oc2cc(N3CCNCC3=O)ccc21
• InChI: InChI=1S/C17H26N4O2.C14H17N3O3.2C14H17N3O2.C14H19N3O2.C12H13N3O3/c1-17(2)12-20(8-7-18-17)13-5-6-14-15(11-13)23-16(22)21(14)10-9-19(3)4;1-16-11-3-2-10(6-12(11)20-13(16)18)17-5-4-15-14(7-17)8-19-9-14;1-16-12-5-4-11(6-13(12)19-14(16)18)17-7-9-2-3-10(8-17)15-9;1-16-11-3-2-10(8-12(11)19-13(16)18)17-7-6-15-14(9-17)4-5-14;1-9-7-17(8-10(2)15-9)11-4-5-12-13(6-11)19-14(18)16(12)3;1-14-9-3-2-8(6-10(9)18-12(14)17)15-5-4-13-7-11(15)16/h5-6,11,18H,7-10,12H2,1-4H3;2-3,6,15H,4-5,7-9H2,1H3;4-6,9-10,15H,2-3,7-8H2,1H3;2-3,8,15H,4-7,9H2,1H3;4-6,9-10,15H,7-8H2,1-3H3;2-3,6,13H,4-5,7H2,1H3
• InChIKey: BZNZHVREDHEUGR-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 332.00 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 9
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1620.93
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one?

The IUPAC name of 6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one (CID 167547614) is 6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one.

What is the SMILES notation for 6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one?

The canonical SMILES for 6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one is CC1CN(c2ccc3c(c2)oc(=O)n3C)CC(C)N1.CN(C)CCn1c(=O)oc2cc(N3CCNC(C)(C)C3)ccc21.Cn1c(=O)oc2cc(N3CC4CCC(C3)N4)ccc21.Cn1c(=O)oc2cc(N3CCNC4(CC4)C3)ccc21.Cn1c(=O)oc2cc(N3CCNC4(COC4)C3)ccc21.Cn1c(=O)oc2cc(N3CCNCC3=O)ccc21.

What is the InChIKey of 6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one?

The InChIKey is BZNZHVREDHEUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.C14H17N3O3.2C14H17N3O2.C14H19N3O2.C12H13N3O3/c1-17(2)12-20(8-7-18-17)13-5-6-14-15(11-13)23-16(22)21(14)10-9-19(3)4;1-16-11-3-2-10(6-12(11)20-13(16)18)17-5-4-15-14(7-17)8-19-9-14;1-16-12-5-4-11(6-13(12)19-14(16)18)17-7-9-2-3-10(8-17)15-9;1-16-11-3-2-10(8-12(11)19-13(16)18)17-7-6-15-14(9-17)4-5-14;1-9-7-17(8-10(2)15-9)11-4-5-12-13(6-11)19-14(18)16(12)3;1-14-9-3-2-8(6-10(9)18-12(14)17)15-5-4-13-7-11(15)16/h5-6,11,18H,7-10,12H2,1-4H3;2-3,6,15H,4-5,7-9H2,1H3;4-6,9-10,15H,2-3,7-8H2,1H3;2-3,8,15H,4-7,9H2,1H3;4-6,9-10,15H,7-8H2,1-3H3;2-3,6,13H,4-5,7H2,1H3.

What are the key properties of 6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one?

6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one has a molecular weight of 1620.93 g/mol, XLogP of 5.19, 9 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-methyl-1,3-benzoxazol-2-one;6-(4,7-diazaspiro[2.5]octan-7-yl)-3-methyl-1,3-benzoxazol-2-one;3-[2-(dimethylamino)ethyl]-6-(3,3-dimethylpiperazin-1-yl)-1,3-benzoxazol-2-one;6-(3,5-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-(2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)-1,3-benzoxazol-2-one;3-methyl-6-(2-oxopiperazin-1-yl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 167547614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).