(4R)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C22H25NO2 — CID 11772016

About (4R)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11772016) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (4R)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 11772016
• Molecular Formula: C22H25NO2
• Molecular Weight: 335.45 g/mol
• Exact Mass: 335.19
• IUPAC Name: (4R)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: CC(C)[C@@H]1COC(=O)N1/C=C(/c1ccccc1)[C@H](C)c1ccccc1
• InChI: InChI=1S/C22H25NO2/c1-16(2)21-15-25-22(24)23(21)14-20(19-12-8-5-9-13-19)17(3)18-10-6-4-7-11-18/h4-14,16-17,21H,15H2,1-3H3/b20-14+/t17-,21+/m1/s1
• InChIKey: ZLJBSEQHHRSVAH-CKAPTLGHSA-N
• XLogP: 5.31
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	335.45
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The IUPAC name of (4R)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11772016) is (4R)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The canonical SMILES for (4R)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@@H]1COC(=O)N1/C=C(/c1ccccc1)[C@H](C)c1ccccc1.

What is the InChIKey of (4R)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The InChIKey is ZLJBSEQHHRSVAH-CKAPTLGHSA-N. The full InChI is InChI=1S/C22H25NO2/c1-16(2)21-15-25-22(24)23(21)14-20(19-12-8-5-9-13-19)17(3)18-10-6-4-7-11-18/h4-14,16-17,21H,15H2,1-3H3/b20-14+/t17-,21+/m1/s1.

What are the key properties of (4R)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

(4R)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 335.45 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11772016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).