[(2S,4S)-4-butan-2-yl-5,5-diethyl-2-methyl-1,3-oxazolidin-3-yl]-phenylmethanone;bis([(2S,4S)-4-butan-2-yl-2-methyl-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone);(2S,4S)-4-butan-2-yl-2-phenyl-5,5-dipropyl-1,3-oxazolidine;bis([(2S,4S)-5,5-diethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]-phenylmethanone);bis([(2S,4S)-2-methyl-4-(2-methylpropyl)-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone)

C160H250N8O15 — CID 158446917

About [(2S,4S)-4-butan-2-yl-5,5-diethyl-2-methyl-1,3-oxazolidin-3-yl]-phenylmethanone;bis([(2S,4S)-4-butan-2-yl-2-methyl-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone);(2S,4S)-4-butan-2-yl-2-phenyl-5,5-dipropyl-1,3-oxazolidine;bis([(2S,4S)-5,5-diethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]-phenylmethanone);bis([(2S,4S)-2-methyl-4-(2-methylpropyl)-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone)

[(2S,4S)-4-butan-2-yl-5,5-diethyl-2-methyl-1,3-oxazolidin-3-yl]-phenylmethanone;bis([(2S,4S)-4-butan-2-yl-2-methyl-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone);(2S,4S)-4-butan-2-yl-2-phenyl-5,5-dipropyl-1,3-oxazolidine;bis([(2S,4S)-5,5-diethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]-phenylmethanone);bis([(2S,4S)-2-methyl-4-(2-methylpropyl)-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone) (PubChem CID 158446917) has the molecular formula C160H250N8O15 and a molecular weight of 2525.80 g/mol. Its IUPAC name is [(2S,4S)-4-butan-2-yl-5,5-diethyl-2-methyl-1,3-oxazolidin-3-yl]-phenylmethanone;bis([(2S,4S)-4-butan-2-yl-2-methyl-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone);(2S,4S)-4-butan-2-yl-2-phenyl-5,5-dipropyl-1,3-oxazolidine;bis([(2S,4S)-5,5-diethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]-phenylmethanone);bis([(2S,4S)-2-methyl-4-(2-methylpropyl)-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone).

Molecular Properties

• Compound Name: [(2S,4S)-4-butan-2-yl-5,5-diethyl-2-methyl-1,3-oxazolidin-3-yl]-phenylmethanone;bis([(2S,4S)-4-butan-2-yl-2-methyl-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone);(2S,4S)-4-butan-2-yl-2-phenyl-5,5-dipropyl-1,3-oxazolidine;bis([(2S,4S)-5,5-diethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]-phenylmethanone);bis([(2S,4S)-2-methyl-4-(2-methylpropyl)-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone)
• PubChem CID: 158446917
• Molecular Formula: C160H250N8O15
• Molecular Weight: 2525.80 g/mol
• Exact Mass: 2523.90
• IUPAC Name: [(2S,4S)-4-butan-2-yl-5,5-diethyl-2-methyl-1,3-oxazolidin-3-yl]-phenylmethanone;bis([(2S,4S)-4-butan-2-yl-2-methyl-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone);(2S,4S)-4-butan-2-yl-2-phenyl-5,5-dipropyl-1,3-oxazolidine;bis([(2S,4S)-5,5-diethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]-phenylmethanone);bis([(2S,4S)-2-methyl-4-(2-methylpropyl)-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone)
• SMILES: CCC(C)[C@@H]1N(C(=O)c2ccccc2)[C@H](C)OC1(CC)CC.CCC1(CC)O[C@@H](C)N(C(=O)c2ccccc2)[C@H]1CC(C)C.CCC1(CC)O[C@@H](C)N(C(=O)c2ccccc2)[C@H]1CC(C)C.CCCC1(CCC)O[C@@H](C)N(C(=O)c2ccccc2)[C@H]1C(C)CC.CCCC1(CCC)O[C@@H](C)N(C(=O)c2ccccc2)[C@H]1C(C)CC.CCCC1(CCC)O[C@@H](C)N(C(=O)c2ccccc2)[C@H]1CC(C)C.CCCC1(CCC)O[C@@H](C)N(C(=O)c2ccccc2)[C@H]1CC(C)C.CCCC1(CCC)O[C@@H](c2ccccc2)N[C@H]1C(C)CC
• InChI: InChI=1S/4C21H33NO2.3C19H29NO2.C19H31NO/c2*1-6-13-21(14-7-2)19(15-16(3)4)22(17(5)24-21)20(23)18-11-9-8-10-12-18;2*1-6-14-21(15-7-2)19(16(4)8-3)22(17(5)24-21)20(23)18-12-10-9-11-13-18;2*1-6-19(7-2)17(13-14(3)4)20(15(5)22-19)18(21)16-11-9-8-10-12-16;1-6-14(4)17-19(7-2,8-3)22-15(5)20(17)18(21)16-12-10-9-11-13-16;1-5-13-19(14-6-2)17(15(4)7-3)20-18(21-19)16-11-9-8-10-12-16/h2*8-12,16-17,19H,6-7,13-15H2,1-5H3;2*9-13,16-17,19H,6-8,14-15H2,1-5H3;2*8-12,14-15,17H,6-7,13H2,1-5H3;9-15,17H,6-8H2,1-5H3;8-12,15,17-18,20H,5-7,13-14H2,1-4H3/t2*17-,19-;2*16?,17-,19-;2*15-,17-;14?,15-,17-;15?,17-,18-/m00000000/s1
• InChIKey: HDMSBNPYDZOGJW-BTAFYKJZSA-N
• XLogP: 39.53
• TPSA: 228.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 50
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2525.80
LogP ≤ 5	39.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-butan-2-yl-5,5-diethyl-2-methyl-1,3-oxazolidin-3-yl]-phenylmethanone;bis([(2S,4S)-4-butan-2-yl-2-methyl-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone);(2S,4S)-4-butan-2-yl-2-phenyl-5,5-dipropyl-1,3-oxazolidine;bis([(2S,4S)-5,5-diethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]-phenylmethanone);bis([(2S,4S)-2-methyl-4-(2-methylpropyl)-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone)?

The IUPAC name of [(2S,4S)-4-butan-2-yl-5,5-diethyl-2-methyl-1,3-oxazolidin-3-yl]-phenylmethanone;bis([(2S,4S)-4-butan-2-yl-2-methyl-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone);(2S,4S)-4-butan-2-yl-2-phenyl-5,5-dipropyl-1,3-oxazolidine;bis([(2S,4S)-5,5-diethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]-phenylmethanone);bis([(2S,4S)-2-methyl-4-(2-methylpropyl)-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone) (CID 158446917) is [(2S,4S)-4-butan-2-yl-5,5-diethyl-2-methyl-1,3-oxazolidin-3-yl]-phenylmethanone;bis([(2S,4S)-4-butan-2-yl-2-methyl-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone);(2S,4S)-4-butan-2-yl-2-phenyl-5,5-dipropyl-1,3-oxazolidine;bis([(2S,4S)-5,5-diethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]-phenylmethanone);bis([(2S,4S)-2-methyl-4-(2-methylpropyl)-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone).

What is the SMILES notation for [(2S,4S)-4-butan-2-yl-5,5-diethyl-2-methyl-1,3-oxazolidin-3-yl]-phenylmethanone;bis([(2S,4S)-4-butan-2-yl-2-methyl-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone);(2S,4S)-4-butan-2-yl-2-phenyl-5,5-dipropyl-1,3-oxazolidine;bis([(2S,4S)-5,5-diethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]-phenylmethanone);bis([(2S,4S)-2-methyl-4-(2-methylpropyl)-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone)?

The canonical SMILES for [(2S,4S)-4-butan-2-yl-5,5-diethyl-2-methyl-1,3-oxazolidin-3-yl]-phenylmethanone;bis([(2S,4S)-4-butan-2-yl-2-methyl-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone);(2S,4S)-4-butan-2-yl-2-phenyl-5,5-dipropyl-1,3-oxazolidine;bis([(2S,4S)-5,5-diethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]-phenylmethanone);bis([(2S,4S)-2-methyl-4-(2-methylpropyl)-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone) is CCC(C)[C@@H]1N(C(=O)c2ccccc2)[C@H](C)OC1(CC)CC.CCC1(CC)O[C@@H](C)N(C(=O)c2ccccc2)[C@H]1CC(C)C.CCC1(CC)O[C@@H](C)N(C(=O)c2ccccc2)[C@H]1CC(C)C.CCCC1(CCC)O[C@@H](C)N(C(=O)c2ccccc2)[C@H]1C(C)CC.CCCC1(CCC)O[C@@H](C)N(C(=O)c2ccccc2)[C@H]1C(C)CC.CCCC1(CCC)O[C@@H](C)N(C(=O)c2ccccc2)[C@H]1CC(C)C.CCCC1(CCC)O[C@@H](C)N(C(=O)c2ccccc2)[C@H]1CC(C)C.CCCC1(CCC)O[C@@H](c2ccccc2)N[C@H]1C(C)CC.

What is the InChIKey of [(2S,4S)-4-butan-2-yl-5,5-diethyl-2-methyl-1,3-oxazolidin-3-yl]-phenylmethanone;bis([(2S,4S)-4-butan-2-yl-2-methyl-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone);(2S,4S)-4-butan-2-yl-2-phenyl-5,5-dipropyl-1,3-oxazolidine;bis([(2S,4S)-5,5-diethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]-phenylmethanone);bis([(2S,4S)-2-methyl-4-(2-methylpropyl)-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone)?

The InChIKey is HDMSBNPYDZOGJW-BTAFYKJZSA-N. The full InChI is InChI=1S/4C21H33NO2.3C19H29NO2.C19H31NO/c2*1-6-13-21(14-7-2)19(15-16(3)4)22(17(5)24-21)20(23)18-11-9-8-10-12-18;2*1-6-14-21(15-7-2)19(16(4)8-3)22(17(5)24-21)20(23)18-12-10-9-11-13-18;2*1-6-19(7-2)17(13-14(3)4)20(15(5)22-19)18(21)16-11-9-8-10-12-16;1-6-14(4)17-19(7-2,8-3)22-15(5)20(17)18(21)16-12-10-9-11-13-16;1-5-13-19(14-6-2)17(15(4)7-3)20-18(21-19)16-11-9-8-10-12-16/h2*8-12,16-17,19H,6-7,13-15H2,1-5H3;2*9-13,16-17,19H,6-8,14-15H2,1-5H3;2*8-12,14-15,17H,6-7,13H2,1-5H3;9-15,17H,6-8H2,1-5H3;8-12,15,17-18,20H,5-7,13-14H2,1-4H3/t2*17-,19-;2*16?,17-,19-;2*15-,17-;14?,15-,17-;15?,17-,18-/m00000000/s1.

What are the key properties of [(2S,4S)-4-butan-2-yl-5,5-diethyl-2-methyl-1,3-oxazolidin-3-yl]-phenylmethanone;bis([(2S,4S)-4-butan-2-yl-2-methyl-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone);(2S,4S)-4-butan-2-yl-2-phenyl-5,5-dipropyl-1,3-oxazolidine;bis([(2S,4S)-5,5-diethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]-phenylmethanone);bis([(2S,4S)-2-methyl-4-(2-methylpropyl)-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone)?

[(2S,4S)-4-butan-2-yl-5,5-diethyl-2-methyl-1,3-oxazolidin-3-yl]-phenylmethanone;bis([(2S,4S)-4-butan-2-yl-2-methyl-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone);(2S,4S)-4-butan-2-yl-2-phenyl-5,5-dipropyl-1,3-oxazolidine;bis([(2S,4S)-5,5-diethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]-phenylmethanone);bis([(2S,4S)-2-methyl-4-(2-methylpropyl)-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone) has a molecular weight of 2525.80 g/mol, XLogP of 39.53, 50 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,4S)-4-butan-2-yl-5,5-diethyl-2-methyl-1,3-oxazolidin-3-yl]-phenylmethanone;bis([(2S,4S)-4-butan-2-yl-2-methyl-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone);(2S,4S)-4-butan-2-yl-2-phenyl-5,5-dipropyl-1,3-oxazolidine;bis([(2S,4S)-5,5-diethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]-phenylmethanone);bis([(2S,4S)-2-methyl-4-(2-methylpropyl)-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone) is sourced from PubChem (CID 158446917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).