benzyl 3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;benzyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;6-(5,5-dimethylmorpholin-3-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-morpholin-3-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-2-yl-1,3-benzoxazol-2-one;3-methyl-6-pyrrolidin-2-yl-1,3-benzoxazol-2-one

C93H108N14O18 — CID 167565384

About benzyl 3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;benzyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;6-(5,5-dimethylmorpholin-3-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-morpholin-3-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-2-yl-1,3-benzoxazol-2-one;3-methyl-6-pyrrolidin-2-yl-1,3-benzoxazol-2-one

benzyl 3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;benzyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;6-(5,5-dimethylmorpholin-3-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-morpholin-3-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-2-yl-1,3-benzoxazol-2-one;3-methyl-6-pyrrolidin-2-yl-1,3-benzoxazol-2-one (PubChem CID 167565384) has the molecular formula C93H108N14O18 and a molecular weight of 1709.97 g/mol. Its IUPAC name is benzyl 3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;benzyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;6-(5,5-dimethylmorpholin-3-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-morpholin-3-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-2-yl-1,3-benzoxazol-2-one;3-methyl-6-pyrrolidin-2-yl-1,3-benzoxazol-2-one.

Molecular Properties

• Compound Name: benzyl 3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;benzyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;6-(5,5-dimethylmorpholin-3-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-morpholin-3-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-2-yl-1,3-benzoxazol-2-one;3-methyl-6-pyrrolidin-2-yl-1,3-benzoxazol-2-one
• PubChem CID: 167565384
• Molecular Formula: C93H108N14O18
• Molecular Weight: 1709.97 g/mol
• Exact Mass: 1708.80
• IUPAC Name: benzyl 3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;benzyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;6-(5,5-dimethylmorpholin-3-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-morpholin-3-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-2-yl-1,3-benzoxazol-2-one;3-methyl-6-pyrrolidin-2-yl-1,3-benzoxazol-2-one
• SMILES: Cn1c(=O)oc2cc(C3CCCCN3)ccc21.Cn1c(=O)oc2cc(C3CCCN3)ccc21.Cn1c(=O)oc2cc(C3CN(C(=O)OCc4ccccc4)CC(C)(C)N3)ccc21.Cn1c(=O)oc2cc(C3CN(C(=O)OCc4ccccc4)CCN3)ccc21.Cn1c(=O)oc2cc(C3COCC(C)(C)N3)ccc21.Cn1c(=O)oc2cc(C3COCCN3)ccc21
• InChI: InChI=1S/C22H25N3O4.C20H21N3O4.C14H18N2O3.C13H16N2O2.C12H14N2O3.C12H14N2O2/c1-22(2)14-25(21(27)28-13-15-7-5-4-6-8-15)12-17(23-22)16-9-10-18-19(11-16)29-20(26)24(18)3;1-22-17-8-7-15(11-18(17)27-19(22)24)16-12-23(10-9-21-16)20(25)26-13-14-5-3-2-4-6-14;1-14(2)8-18-7-10(15-14)9-4-5-11-12(6-9)19-13(17)16(11)3;1-15-11-6-5-9(8-12(11)17-13(15)16)10-4-2-3-7-14-10;1-14-10-3-2-8(6-11(10)17-12(14)15)9-7-16-5-4-13-9;1-14-10-5-4-8(9-3-2-6-13-9)7-11(10)16-12(14)15/h4-11,17,23H,12-14H2,1-3H3;2-8,11,16,21H,9-10,12-13H2,1H3;4-6,10,15H,7-8H2,1-3H3;5-6,8,10,14H,2-4,7H2,1H3;2-3,6,9,13H,4-5,7H2,1H3;4-5,7,9,13H,2-3,6H2,1H3
• InChIKey: FFEAABMSXYHSIB-UHFFFAOYSA-N
• XLogP: 11.47
• TPSA: 360.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1709.97
LogP ≤ 5	11.47
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of benzyl 3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;benzyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;6-(5,5-dimethylmorpholin-3-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-morpholin-3-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-2-yl-1,3-benzoxazol-2-one;3-methyl-6-pyrrolidin-2-yl-1,3-benzoxazol-2-one?

The IUPAC name of benzyl 3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;benzyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;6-(5,5-dimethylmorpholin-3-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-morpholin-3-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-2-yl-1,3-benzoxazol-2-one;3-methyl-6-pyrrolidin-2-yl-1,3-benzoxazol-2-one (CID 167565384) is benzyl 3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;benzyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;6-(5,5-dimethylmorpholin-3-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-morpholin-3-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-2-yl-1,3-benzoxazol-2-one;3-methyl-6-pyrrolidin-2-yl-1,3-benzoxazol-2-one.

What is the SMILES notation for benzyl 3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;benzyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;6-(5,5-dimethylmorpholin-3-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-morpholin-3-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-2-yl-1,3-benzoxazol-2-one;3-methyl-6-pyrrolidin-2-yl-1,3-benzoxazol-2-one?

The canonical SMILES for benzyl 3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;benzyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;6-(5,5-dimethylmorpholin-3-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-morpholin-3-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-2-yl-1,3-benzoxazol-2-one;3-methyl-6-pyrrolidin-2-yl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(C3CCCCN3)ccc21.Cn1c(=O)oc2cc(C3CCCN3)ccc21.Cn1c(=O)oc2cc(C3CN(C(=O)OCc4ccccc4)CC(C)(C)N3)ccc21.Cn1c(=O)oc2cc(C3CN(C(=O)OCc4ccccc4)CCN3)ccc21.Cn1c(=O)oc2cc(C3COCC(C)(C)N3)ccc21.Cn1c(=O)oc2cc(C3COCCN3)ccc21.

What is the InChIKey of benzyl 3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;benzyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;6-(5,5-dimethylmorpholin-3-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-morpholin-3-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-2-yl-1,3-benzoxazol-2-one;3-methyl-6-pyrrolidin-2-yl-1,3-benzoxazol-2-one?

The InChIKey is FFEAABMSXYHSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4.C20H21N3O4.C14H18N2O3.C13H16N2O2.C12H14N2O3.C12H14N2O2/c1-22(2)14-25(21(27)28-13-15-7-5-4-6-8-15)12-17(23-22)16-9-10-18-19(11-16)29-20(26)24(18)3;1-22-17-8-7-15(11-18(17)27-19(22)24)16-12-23(10-9-21-16)20(25)26-13-14-5-3-2-4-6-14;1-14(2)8-18-7-10(15-14)9-4-5-11-12(6-9)19-13(17)16(11)3;1-15-11-6-5-9(8-12(11)17-13(15)16)10-4-2-3-7-14-10;1-14-10-3-2-8(6-11(10)17-12(14)15)9-7-16-5-4-13-9;1-14-10-5-4-8(9-3-2-6-13-9)7-11(10)16-12(14)15/h4-11,17,23H,12-14H2,1-3H3;2-8,11,16,21H,9-10,12-13H2,1H3;4-6,10,15H,7-8H2,1-3H3;5-6,8,10,14H,2-4,7H2,1H3;2-3,6,9,13H,4-5,7H2,1H3;4-5,7,9,13H,2-3,6H2,1H3.

What are the key properties of benzyl 3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;benzyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;6-(5,5-dimethylmorpholin-3-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-morpholin-3-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-2-yl-1,3-benzoxazol-2-one;3-methyl-6-pyrrolidin-2-yl-1,3-benzoxazol-2-one?

benzyl 3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;benzyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;6-(5,5-dimethylmorpholin-3-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-morpholin-3-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-2-yl-1,3-benzoxazol-2-one;3-methyl-6-pyrrolidin-2-yl-1,3-benzoxazol-2-one has a molecular weight of 1709.97 g/mol, XLogP of 11.47, 10 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 3,3-dimethyl-5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;benzyl 3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperazine-1-carboxylate;6-(5,5-dimethylmorpholin-3-yl)-3-methyl-1,3-benzoxazol-2-one;3-methyl-6-morpholin-3-yl-1,3-benzoxazol-2-one;3-methyl-6-piperidin-2-yl-1,3-benzoxazol-2-one;3-methyl-6-pyrrolidin-2-yl-1,3-benzoxazol-2-one is sourced from PubChem (CID 167565384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).