(3S,4R,5R)-5-[(1S)-1-hydroxyethyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide

C32H35N3O4 — CID 58593259

About (3S,4R,5R)-5-[(1S)-1-hydroxyethyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide

(3S,4R,5R)-5-[(1S)-1-hydroxyethyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide (PubChem CID 58593259) has the molecular formula C32H35N3O4 and a molecular weight of 525.65 g/mol. Its IUPAC name is (3S,4R,5R)-5-[(1S)-1-hydroxyethyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S,4R,5R)-5-[(1S)-1-hydroxyethyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide
• PubChem CID: 58593259
• Molecular Formula: C32H35N3O4
• Molecular Weight: 525.65 g/mol
• Exact Mass: 525.26
• IUPAC Name: (3S,4R,5R)-5-[(1S)-1-hydroxyethyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide
• SMILES: C[C@H](O)[C@@H]1ON(Cc2cccc(/C=C/c3ccccc3)c2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)[C@@H]1CO
• InChI: InChI=1S/C32H35N3O4/c1-22(37)31-28(21-36)30(32(38)33-17-16-26-19-34-29-13-6-5-12-27(26)29)35(39-31)20-25-11-7-10-24(18-25)15-14-23-8-3-2-4-9-23/h2-15,18-19,22,28,30-31,34,36-37H,16-17,20-21H2,1H3,(H,33,38)/b15-14+/t22-,28-,30-,31-/m0/s1
• InChIKey: GOPVYJDMSAUUFF-WVVHQWDYSA-N
• XLogP: 4.17
• TPSA: 97.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.65
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-5-[(1S)-1-hydroxyethyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide?

The IUPAC name of (3S,4R,5R)-5-[(1S)-1-hydroxyethyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide (CID 58593259) is (3S,4R,5R)-5-[(1S)-1-hydroxyethyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide.

What is the SMILES notation for (3S,4R,5R)-5-[(1S)-1-hydroxyethyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide?

The canonical SMILES for (3S,4R,5R)-5-[(1S)-1-hydroxyethyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide is C[C@H](O)[C@@H]1ON(Cc2cccc(/C=C/c3ccccc3)c2)[C@H](C(=O)NCCc2c[nH]c3ccccc23)[C@@H]1CO.

What is the InChIKey of (3S,4R,5R)-5-[(1S)-1-hydroxyethyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide?

The InChIKey is GOPVYJDMSAUUFF-WVVHQWDYSA-N. The full InChI is InChI=1S/C32H35N3O4/c1-22(37)31-28(21-36)30(32(38)33-17-16-26-19-34-29-13-6-5-12-27(26)29)35(39-31)20-25-11-7-10-24(18-25)15-14-23-8-3-2-4-9-23/h2-15,18-19,22,28,30-31,34,36-37H,16-17,20-21H2,1H3,(H,33,38)/b15-14+/t22-,28-,30-,31-/m0/s1.

What are the key properties of (3S,4R,5R)-5-[(1S)-1-hydroxyethyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide?

(3S,4R,5R)-5-[(1S)-1-hydroxyethyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide has a molecular weight of 525.65 g/mol, XLogP of 4.17, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R,5R)-5-[(1S)-1-hydroxyethyl]-4-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]-2-[[3-[(E)-2-phenylethenyl]phenyl]methyl]-1,2-oxazolidine-3-carboxamide is sourced from PubChem (CID 58593259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).