(4S)-4-benzyl-3-[(3S)-3-[4-[[2-[4-(diethylaminomethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one;4-[5-[[4-[(1S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(1,2-oxazol-3-yl)-3-oxopropyl]phenoxy]methyl]-4-methyl-1,3-thiazol-2-yl]benzaldehyde;N-ethylethanamine

C76H80N8O11S2 — CID 160583609

About (4S)-4-benzyl-3-[(3S)-3-[4-[[2-[4-(diethylaminomethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one;4-[5-[[4-[(1S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(1,2-oxazol-3-yl)-3-oxopropyl]phenoxy]methyl]-4-methyl-1,3-thiazol-2-yl]benzaldehyde;N-ethylethanamine

(4S)-4-benzyl-3-[(3S)-3-[4-[[2-[4-(diethylaminomethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one;4-[5-[[4-[(1S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(1,2-oxazol-3-yl)-3-oxopropyl]phenoxy]methyl]-4-methyl-1,3-thiazol-2-yl]benzaldehyde;N-ethylethanamine (PubChem CID 160583609) has the molecular formula C76H80N8O11S2 and a molecular weight of 1345.65 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(3S)-3-[4-[[2-[4-(diethylaminomethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one;4-[5-[[4-[(1S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(1,2-oxazol-3-yl)-3-oxopropyl]phenoxy]methyl]-4-methyl-1,3-thiazol-2-yl]benzaldehyde;N-ethylethanamine.

Molecular Properties

• Compound Name: (4S)-4-benzyl-3-[(3S)-3-[4-[[2-[4-(diethylaminomethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one;4-[5-[[4-[(1S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(1,2-oxazol-3-yl)-3-oxopropyl]phenoxy]methyl]-4-methyl-1,3-thiazol-2-yl]benzaldehyde;N-ethylethanamine
• PubChem CID: 160583609
• Molecular Formula: C76H80N8O11S2
• Molecular Weight: 1345.65 g/mol
• Exact Mass: 1344.54
• IUPAC Name: (4S)-4-benzyl-3-[(3S)-3-[4-[[2-[4-(diethylaminomethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one;4-[5-[[4-[(1S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(1,2-oxazol-3-yl)-3-oxopropyl]phenoxy]methyl]-4-methyl-1,3-thiazol-2-yl]benzaldehyde;N-ethylethanamine
• SMILES: CCN(CC)Cc1ccc(-c2nc(C)c(COc3ccc([C@H](CC(=O)N4C(=O)OC[C@@H]4Cc4ccccc4)c4ccon4)cc3)s2)cc1.CCNCC.Cc1nc(-c2ccc(C=O)cc2)sc1COc1ccc([C@H](CC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)c2ccon2)cc1
• InChI: InChI=1S/C38H40N4O5S.C34H29N3O6S.C4H11N/c1-4-41(5-2)23-28-11-13-30(14-12-28)37-39-26(3)35(48-37)25-45-32-17-15-29(16-18-32)33(34-19-20-47-40-34)22-36(43)42-31(24-46-38(42)44)21-27-9-7-6-8-10-27;1-22-31(44-33(35-22)26-9-7-24(19-38)8-10-26)21-41-28-13-11-25(12-14-28)29(30-15-16-43-36-30)18-32(39)37-27(20-42-34(37)40)17-23-5-3-2-4-6-23;1-3-5-4-2/h6-20,31,33H,4-5,21-25H2,1-3H3;2-16,19,27,29H,17-18,20-21H2,1H3;5H,3-4H2,1-2H3/t31-,33-;27-,29-;/m00./s1
• InChIKey: RCCIAFIBTSWUMK-RFUDTXJBSA-N
• XLogP: 14.87
• TPSA: 221.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 27
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1345.65
LogP ≤ 5	14.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(3S)-3-[4-[[2-[4-(diethylaminomethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one;4-[5-[[4-[(1S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(1,2-oxazol-3-yl)-3-oxopropyl]phenoxy]methyl]-4-methyl-1,3-thiazol-2-yl]benzaldehyde;N-ethylethanamine?

The IUPAC name of (4S)-4-benzyl-3-[(3S)-3-[4-[[2-[4-(diethylaminomethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one;4-[5-[[4-[(1S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(1,2-oxazol-3-yl)-3-oxopropyl]phenoxy]methyl]-4-methyl-1,3-thiazol-2-yl]benzaldehyde;N-ethylethanamine (CID 160583609) is (4S)-4-benzyl-3-[(3S)-3-[4-[[2-[4-(diethylaminomethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one;4-[5-[[4-[(1S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(1,2-oxazol-3-yl)-3-oxopropyl]phenoxy]methyl]-4-methyl-1,3-thiazol-2-yl]benzaldehyde;N-ethylethanamine.

What is the SMILES notation for (4S)-4-benzyl-3-[(3S)-3-[4-[[2-[4-(diethylaminomethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one;4-[5-[[4-[(1S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(1,2-oxazol-3-yl)-3-oxopropyl]phenoxy]methyl]-4-methyl-1,3-thiazol-2-yl]benzaldehyde;N-ethylethanamine?

The canonical SMILES for (4S)-4-benzyl-3-[(3S)-3-[4-[[2-[4-(diethylaminomethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one;4-[5-[[4-[(1S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(1,2-oxazol-3-yl)-3-oxopropyl]phenoxy]methyl]-4-methyl-1,3-thiazol-2-yl]benzaldehyde;N-ethylethanamine is CCN(CC)Cc1ccc(-c2nc(C)c(COc3ccc([C@H](CC(=O)N4C(=O)OC[C@@H]4Cc4ccccc4)c4ccon4)cc3)s2)cc1.CCNCC.Cc1nc(-c2ccc(C=O)cc2)sc1COc1ccc([C@H](CC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)c2ccon2)cc1.

What is the InChIKey of (4S)-4-benzyl-3-[(3S)-3-[4-[[2-[4-(diethylaminomethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one;4-[5-[[4-[(1S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(1,2-oxazol-3-yl)-3-oxopropyl]phenoxy]methyl]-4-methyl-1,3-thiazol-2-yl]benzaldehyde;N-ethylethanamine?

The InChIKey is RCCIAFIBTSWUMK-RFUDTXJBSA-N. The full InChI is InChI=1S/C38H40N4O5S.C34H29N3O6S.C4H11N/c1-4-41(5-2)23-28-11-13-30(14-12-28)37-39-26(3)35(48-37)25-45-32-17-15-29(16-18-32)33(34-19-20-47-40-34)22-36(43)42-31(24-46-38(42)44)21-27-9-7-6-8-10-27;1-22-31(44-33(35-22)26-9-7-24(19-38)8-10-26)21-41-28-13-11-25(12-14-28)29(30-15-16-43-36-30)18-32(39)37-27(20-42-34(37)40)17-23-5-3-2-4-6-23;1-3-5-4-2/h6-20,31,33H,4-5,21-25H2,1-3H3;2-16,19,27,29H,17-18,20-21H2,1H3;5H,3-4H2,1-2H3/t31-,33-;27-,29-;/m00./s1.

What are the key properties of (4S)-4-benzyl-3-[(3S)-3-[4-[[2-[4-(diethylaminomethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one;4-[5-[[4-[(1S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(1,2-oxazol-3-yl)-3-oxopropyl]phenoxy]methyl]-4-methyl-1,3-thiazol-2-yl]benzaldehyde;N-ethylethanamine?

(4S)-4-benzyl-3-[(3S)-3-[4-[[2-[4-(diethylaminomethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one;4-[5-[[4-[(1S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(1,2-oxazol-3-yl)-3-oxopropyl]phenoxy]methyl]-4-methyl-1,3-thiazol-2-yl]benzaldehyde;N-ethylethanamine has a molecular weight of 1345.65 g/mol, XLogP of 14.87, 27 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-benzyl-3-[(3S)-3-[4-[[2-[4-(diethylaminomethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoyl]-1,3-oxazolidin-2-one;4-[5-[[4-[(1S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(1,2-oxazol-3-yl)-3-oxopropyl]phenoxy]methyl]-4-methyl-1,3-thiazol-2-yl]benzaldehyde;N-ethylethanamine is sourced from PubChem (CID 160583609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).