(4S)-4-benzyl-2-[(Z)-[(3Z)-3-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole

C30H27N3O2 — CID 146013490

About (4S)-4-benzyl-2-[(Z)-[(3Z)-3-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole

(4S)-4-benzyl-2-[(Z)-[(3Z)-3-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 146013490) has the molecular formula C30H27N3O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is (4S)-4-benzyl-2-[(Z)-[(3Z)-3-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

• Compound Name: (4S)-4-benzyl-2-[(Z)-[(3Z)-3-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
• PubChem CID: 146013490
• Molecular Formula: C30H27N3O2
• Molecular Weight: 461.57 g/mol
• Exact Mass: 461.21
• IUPAC Name: (4S)-4-benzyl-2-[(Z)-[(3Z)-3-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole
• SMILES: C(\C1=N[C@@H](Cc2ccccc2)CO1)=c1\[nH]/c(=C\C2=N[C@@H](Cc3ccccc3)CO2)c2ccccc12
• InChI: InChI=1S/C30H27N3O2/c1-3-9-21(10-4-1)15-23-19-34-29(31-23)17-27-25-13-7-8-14-26(25)28(33-27)18-30-32-24(20-35-30)16-22-11-5-2-6-12-22/h1-14,17-18,23-24,33H,15-16,19-20H2/b27-17-,28-18-/t23-,24-/m0/s1
• InChIKey: JUVUVRRDXNHUAM-HTSHWYKSSA-N
• XLogP: 3.81
• TPSA: 58.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.57
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-2-[(Z)-[(3Z)-3-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole?

The IUPAC name of (4S)-4-benzyl-2-[(Z)-[(3Z)-3-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole (CID 146013490) is (4S)-4-benzyl-2-[(Z)-[(3Z)-3-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole.

What is the SMILES notation for (4S)-4-benzyl-2-[(Z)-[(3Z)-3-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole?

The canonical SMILES for (4S)-4-benzyl-2-[(Z)-[(3Z)-3-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole is C(\C1=N[C@@H](Cc2ccccc2)CO1)=c1\[nH]/c(=C\C2=N[C@@H](Cc3ccccc3)CO2)c2ccccc12.

What is the InChIKey of (4S)-4-benzyl-2-[(Z)-[(3Z)-3-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole?

The InChIKey is JUVUVRRDXNHUAM-HTSHWYKSSA-N. The full InChI is InChI=1S/C30H27N3O2/c1-3-9-21(10-4-1)15-23-19-34-29(31-23)17-27-25-13-7-8-14-26(25)28(33-27)18-30-32-24(20-35-30)16-22-11-5-2-6-12-22/h1-14,17-18,23-24,33H,15-16,19-20H2/b27-17-,28-18-/t23-,24-/m0/s1.

What are the key properties of (4S)-4-benzyl-2-[(Z)-[(3Z)-3-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole?

(4S)-4-benzyl-2-[(Z)-[(3Z)-3-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 461.57 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-benzyl-2-[(Z)-[(3Z)-3-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]methylidene]isoindol-1-ylidene]methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 146013490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).