(5R)-3-[(E)-1-phenylprop-1-en-2-yl]-5-[[(5S)-3-[(Z)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1,2-oxazole

C25H26N2O2 — CID 98104680

About (5R)-3-[(E)-1-phenylprop-1-en-2-yl]-5-[[(5S)-3-[(Z)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1,2-oxazole

(5R)-3-[(E)-1-phenylprop-1-en-2-yl]-5-[[(5S)-3-[(Z)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1,2-oxazole (PubChem CID 98104680) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (5R)-3-[(E)-1-phenylprop-1-en-2-yl]-5-[[(5S)-3-[(Z)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

• Compound Name: (5R)-3-[(E)-1-phenylprop-1-en-2-yl]-5-[[(5S)-3-[(Z)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1,2-oxazole
• PubChem CID: 98104680
• Molecular Formula: C25H26N2O2
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.20
• IUPAC Name: (5R)-3-[(E)-1-phenylprop-1-en-2-yl]-5-[[(5S)-3-[(Z)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1,2-oxazole
• SMILES: C/C(=C/c1ccccc1)C1=NO[C@H](C[C@H]2CC(/C(C)=C/c3ccccc3)=NO2)C1
• InChI: InChI=1S/C25H26N2O2/c1-18(13-20-9-5-3-6-10-20)24-16-22(28-26-24)15-23-17-25(27-29-23)19(2)14-21-11-7-4-8-12-21/h3-14,22-23H,15-17H2,1-2H3/b18-13-,19-14+/t22-,23+/m1/s1
• InChIKey: JKWTWRSUPHXFOT-XKTCZOJPSA-N
• XLogP: 5.87
• TPSA: 43.18 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.50
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(E)-1-phenylprop-1-en-2-yl]-5-[[(5S)-3-[(Z)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1,2-oxazole?

The IUPAC name of (5R)-3-[(E)-1-phenylprop-1-en-2-yl]-5-[[(5S)-3-[(Z)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1,2-oxazole (CID 98104680) is (5R)-3-[(E)-1-phenylprop-1-en-2-yl]-5-[[(5S)-3-[(Z)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1,2-oxazole.

What is the SMILES notation for (5R)-3-[(E)-1-phenylprop-1-en-2-yl]-5-[[(5S)-3-[(Z)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1,2-oxazole?

The canonical SMILES for (5R)-3-[(E)-1-phenylprop-1-en-2-yl]-5-[[(5S)-3-[(Z)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1,2-oxazole is C/C(=C/c1ccccc1)C1=NO[C@H](C[C@H]2CC(/C(C)=C/c3ccccc3)=NO2)C1.

What is the InChIKey of (5R)-3-[(E)-1-phenylprop-1-en-2-yl]-5-[[(5S)-3-[(Z)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1,2-oxazole?

The InChIKey is JKWTWRSUPHXFOT-XKTCZOJPSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-18(13-20-9-5-3-6-10-20)24-16-22(28-26-24)15-23-17-25(27-29-23)19(2)14-21-11-7-4-8-12-21/h3-14,22-23H,15-17H2,1-2H3/b18-13-,19-14+/t22-,23+/m1/s1.

What are the key properties of (5R)-3-[(E)-1-phenylprop-1-en-2-yl]-5-[[(5S)-3-[(Z)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1,2-oxazole?

(5R)-3-[(E)-1-phenylprop-1-en-2-yl]-5-[[(5S)-3-[(Z)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 386.50 g/mol, XLogP of 5.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[(E)-1-phenylprop-1-en-2-yl]-5-[[(5S)-3-[(Z)-1-phenylprop-1-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 98104680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).