3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-piperazin-1-yl-3H-1,3-benzoxazol-2-one

C91H120N22O14 — CID 167660322

About 3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-piperazin-1-yl-3H-1,3-benzoxazol-2-one

3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-piperazin-1-yl-3H-1,3-benzoxazol-2-one (PubChem CID 167660322) has the molecular formula C91H120N22O14 and a molecular weight of 1746.10 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-piperazin-1-yl-3H-1,3-benzoxazol-2-one.

Molecular Properties

• Compound Name: 3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-piperazin-1-yl-3H-1,3-benzoxazol-2-one
• PubChem CID: 167660322
• Molecular Formula: C91H120N22O14
• Molecular Weight: 1746.10 g/mol
• Exact Mass: 1744.94
• IUPAC Name: 3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-piperazin-1-yl-3H-1,3-benzoxazol-2-one
• SMILES: CC1(C)CN(c2ccc3[nH]c(=O)oc3c2)CCN1.CN(C)CCn1c(=O)oc2cc(N3CCNCC3)ccc21.C[C@@H]1CN(c2ccc3c(c2)oc(=O)n3C)CCN1.C[C@H]1CN(c2ccc3c(c2)oc(=O)n3C)CCN1.Cn1c(=O)oc2cc(N3CCNC(C)(C)C3)ccc21.Cn1c(=O)oc2cc(N3CCNCC3)ccc21.O=c1[nH]c2ccc(N3CCNCC3)cc2o1
• InChI: InChI=1S/C15H22N4O2.C14H19N3O2.3C13H17N3O2.C12H15N3O2.C11H13N3O2/c1-17(2)9-10-19-13-4-3-12(11-14(13)21-15(19)20)18-7-5-16-6-8-18;1-14(2)9-17(7-6-15-14)10-4-5-11-12(8-10)19-13(18)16(11)3;1-13(2)8-16(6-5-14-13)9-3-4-10-11(7-9)18-12(17)15-10;2*1-9-8-16(6-5-14-9)10-3-4-11-12(7-10)18-13(17)15(11)2;1-14-10-3-2-9(8-11(10)17-12(14)16)15-6-4-13-5-7-15;15-11-13-9-2-1-8(7-10(9)16-11)14-5-3-12-4-6-14/h3-4,11,16H,5-10H2,1-2H3;4-5,8,15H,6-7,9H2,1-3H3;3-4,7,14H,5-6,8H2,1-2H3,(H,15,17);2*3-4,7,9,14H,5-6,8H2,1-2H3;2-3,8,13H,4-7H2,1H3;1-2,7,12H,3-6H2,(H,13,15)/t;;;2*9-;;/m...10../s1
• InChIKey: RVZILUUCBRHCTD-GPIDKJPFSA-N
• XLogP: 6.13
• TPSA: 377.83 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 10
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1746.10
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-piperazin-1-yl-3H-1,3-benzoxazol-2-one?

The IUPAC name of 3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-piperazin-1-yl-3H-1,3-benzoxazol-2-one (CID 167660322) is 3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-piperazin-1-yl-3H-1,3-benzoxazol-2-one.

What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-piperazin-1-yl-3H-1,3-benzoxazol-2-one?

The canonical SMILES for 3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-piperazin-1-yl-3H-1,3-benzoxazol-2-one is CC1(C)CN(c2ccc3[nH]c(=O)oc3c2)CCN1.CN(C)CCn1c(=O)oc2cc(N3CCNCC3)ccc21.C[C@@H]1CN(c2ccc3c(c2)oc(=O)n3C)CCN1.C[C@H]1CN(c2ccc3c(c2)oc(=O)n3C)CCN1.Cn1c(=O)oc2cc(N3CCNC(C)(C)C3)ccc21.Cn1c(=O)oc2cc(N3CCNCC3)ccc21.O=c1[nH]c2ccc(N3CCNCC3)cc2o1.

What is the InChIKey of 3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-piperazin-1-yl-3H-1,3-benzoxazol-2-one?

The InChIKey is RVZILUUCBRHCTD-GPIDKJPFSA-N. The full InChI is InChI=1S/C15H22N4O2.C14H19N3O2.3C13H17N3O2.C12H15N3O2.C11H13N3O2/c1-17(2)9-10-19-13-4-3-12(11-14(13)21-15(19)20)18-7-5-16-6-8-18;1-14(2)9-17(7-6-15-14)10-4-5-11-12(8-10)19-13(18)16(11)3;1-13(2)8-16(6-5-14-13)9-3-4-10-11(7-9)18-12(17)15-10;2*1-9-8-16(6-5-14-9)10-3-4-11-12(7-10)18-13(17)15(11)2;1-14-10-3-2-9(8-11(10)17-12(14)16)15-6-4-13-5-7-15;15-11-13-9-2-1-8(7-10(9)16-11)14-5-3-12-4-6-14/h3-4,11,16H,5-10H2,1-2H3;4-5,8,15H,6-7,9H2,1-3H3;3-4,7,14H,5-6,8H2,1-2H3,(H,15,17);2*3-4,7,9,14H,5-6,8H2,1-2H3;2-3,8,13H,4-7H2,1H3;1-2,7,12H,3-6H2,(H,13,15)/t;;;2*9-;;/m...10../s1.

What are the key properties of 3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-piperazin-1-yl-3H-1,3-benzoxazol-2-one?

3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-piperazin-1-yl-3H-1,3-benzoxazol-2-one has a molecular weight of 1746.10 g/mol, XLogP of 6.13, 10 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(dimethylamino)ethyl]-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3H-1,3-benzoxazol-2-one;6-(3,3-dimethylpiperazin-1-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-[(3S)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-[(3R)-3-methylpiperazin-1-yl]-1,3-benzoxazol-2-one;3-methyl-6-piperazin-1-yl-1,3-benzoxazol-2-one;6-piperazin-1-yl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 167660322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).