(3R,4S,5R)-5-[(1R)-1-[butyl-di(propan-2-yl)silyl]oxyethyl]-2-[[4-[2-(cyclohexen-1-yl)ethynyl]phenyl]methyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,2-oxazolidine-3-carboxamide

C42H59N3O4Si — CID 58593212

About (3R,4S,5R)-5-[(1R)-1-[butyl-di(propan-2-yl)silyl]oxyethyl]-2-[[4-[2-(cyclohexen-1-yl)ethynyl]phenyl]methyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,2-oxazolidine-3-carboxamide

(3R,4S,5R)-5-[(1R)-1-[butyl-di(propan-2-yl)silyl]oxyethyl]-2-[[4-[2-(cyclohexen-1-yl)ethynyl]phenyl]methyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,2-oxazolidine-3-carboxamide (PubChem CID 58593212) has the molecular formula C42H59N3O4Si and a molecular weight of 698.04 g/mol. Its IUPAC name is (3R,4S,5R)-5-[(1R)-1-[butyl-di(propan-2-yl)silyl]oxyethyl]-2-[[4-[2-(cyclohexen-1-yl)ethynyl]phenyl]methyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,2-oxazolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R,4S,5R)-5-[(1R)-1-[butyl-di(propan-2-yl)silyl]oxyethyl]-2-[[4-[2-(cyclohexen-1-yl)ethynyl]phenyl]methyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,2-oxazolidine-3-carboxamide
• PubChem CID: 58593212
• Molecular Formula: C42H59N3O4Si
• Molecular Weight: 698.04 g/mol
• Exact Mass: 697.43
• IUPAC Name: (3R,4S,5R)-5-[(1R)-1-[butyl-di(propan-2-yl)silyl]oxyethyl]-2-[[4-[2-(cyclohexen-1-yl)ethynyl]phenyl]methyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,2-oxazolidine-3-carboxamide
• SMILES: CCCC[Si](O[C@H](C)[C@@H]1ON(Cc2ccc(C#CC3=CCCCC3)cc2)[C@@H](C(=O)NCCc2c[nH]c3ccccc23)[C@H]1CO)(C(C)C)C(C)C
• InChI: InChI=1S/C42H59N3O4Si/c1-7-8-26-50(30(2)3,31(4)5)49-32(6)41-38(29-46)40(42(47)43-25-24-36-27-44-39-17-13-12-16-37(36)39)45(48-41)28-35-22-20-34(21-23-35)19-18-33-14-10-9-11-15-33/h12-14,16-17,20-23,27,30-32,38,40-41,44,46H,7-11,15,24-26,28-29H2,1-6H3,(H,43,47)/t32-,38-,40-,41+/m1/s1
• InChIKey: ARZKWKBJNGYLBT-OMUBYBRZSA-N
• XLogP: 8.44
• TPSA: 86.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.04
LogP ≤ 5	8.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-5-[(1R)-1-[butyl-di(propan-2-yl)silyl]oxyethyl]-2-[[4-[2-(cyclohexen-1-yl)ethynyl]phenyl]methyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,2-oxazolidine-3-carboxamide?

The IUPAC name of (3R,4S,5R)-5-[(1R)-1-[butyl-di(propan-2-yl)silyl]oxyethyl]-2-[[4-[2-(cyclohexen-1-yl)ethynyl]phenyl]methyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,2-oxazolidine-3-carboxamide (CID 58593212) is (3R,4S,5R)-5-[(1R)-1-[butyl-di(propan-2-yl)silyl]oxyethyl]-2-[[4-[2-(cyclohexen-1-yl)ethynyl]phenyl]methyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,2-oxazolidine-3-carboxamide.

What is the SMILES notation for (3R,4S,5R)-5-[(1R)-1-[butyl-di(propan-2-yl)silyl]oxyethyl]-2-[[4-[2-(cyclohexen-1-yl)ethynyl]phenyl]methyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,2-oxazolidine-3-carboxamide?

The canonical SMILES for (3R,4S,5R)-5-[(1R)-1-[butyl-di(propan-2-yl)silyl]oxyethyl]-2-[[4-[2-(cyclohexen-1-yl)ethynyl]phenyl]methyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,2-oxazolidine-3-carboxamide is CCCC[Si](O[C@H](C)[C@@H]1ON(Cc2ccc(C#CC3=CCCCC3)cc2)[C@@H](C(=O)NCCc2c[nH]c3ccccc23)[C@H]1CO)(C(C)C)C(C)C.

What is the InChIKey of (3R,4S,5R)-5-[(1R)-1-[butyl-di(propan-2-yl)silyl]oxyethyl]-2-[[4-[2-(cyclohexen-1-yl)ethynyl]phenyl]methyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,2-oxazolidine-3-carboxamide?

The InChIKey is ARZKWKBJNGYLBT-OMUBYBRZSA-N. The full InChI is InChI=1S/C42H59N3O4Si/c1-7-8-26-50(30(2)3,31(4)5)49-32(6)41-38(29-46)40(42(47)43-25-24-36-27-44-39-17-13-12-16-37(36)39)45(48-41)28-35-22-20-34(21-23-35)19-18-33-14-10-9-11-15-33/h12-14,16-17,20-23,27,30-32,38,40-41,44,46H,7-11,15,24-26,28-29H2,1-6H3,(H,43,47)/t32-,38-,40-,41+/m1/s1.

What are the key properties of (3R,4S,5R)-5-[(1R)-1-[butyl-di(propan-2-yl)silyl]oxyethyl]-2-[[4-[2-(cyclohexen-1-yl)ethynyl]phenyl]methyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,2-oxazolidine-3-carboxamide?

(3R,4S,5R)-5-[(1R)-1-[butyl-di(propan-2-yl)silyl]oxyethyl]-2-[[4-[2-(cyclohexen-1-yl)ethynyl]phenyl]methyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,2-oxazolidine-3-carboxamide has a molecular weight of 698.04 g/mol, XLogP of 8.44, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,5R)-5-[(1R)-1-[butyl-di(propan-2-yl)silyl]oxyethyl]-2-[[4-[2-(cyclohexen-1-yl)ethynyl]phenyl]methyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,2-oxazolidine-3-carboxamide is sourced from PubChem (CID 58593212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).