ethane;[2-[3-hydroxy-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]but-3-enyl]phenyl]-phenylmethanone

C38H39NO4 — CID 143433753

About ethane;[2-[3-hydroxy-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]but-3-enyl]phenyl]-phenylmethanone

ethane;[2-[3-hydroxy-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]but-3-enyl]phenyl]-phenylmethanone (PubChem CID 143433753) has the molecular formula C38H39NO4 and a molecular weight of 573.73 g/mol. Its IUPAC name is ethane;[2-[3-hydroxy-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]but-3-enyl]phenyl]-phenylmethanone.

Molecular Properties

• Compound Name: ethane;[2-[3-hydroxy-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]but-3-enyl]phenyl]-phenylmethanone
• PubChem CID: 143433753
• Molecular Formula: C38H39NO4
• Molecular Weight: 573.73 g/mol
• Exact Mass: 573.29
• IUPAC Name: ethane;[2-[3-hydroxy-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]but-3-enyl]phenyl]-phenylmethanone
• SMILES: C=C(O)C(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)Cc1ccccc1C(=O)c1ccccc1.CC
• InChI: InChI=1S/C36H33NO4.C2H6/c1-25(38)31(24-30-15-9-10-16-33(30)35(39)28-11-5-3-6-12-28)23-27-17-19-32(20-18-27)40-22-21-34-26(2)41-36(37-34)29-13-7-4-8-14-29;1-2/h3-20,31,38H,1,21-24H2,2H3;1-2H3
• InChIKey: YYVLBAGOVRQLCD-UHFFFAOYSA-N
• XLogP: 9.00
• TPSA: 72.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.73
LogP ≤ 5	9.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;[2-[3-hydroxy-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]but-3-enyl]phenyl]-phenylmethanone?

The IUPAC name of ethane;[2-[3-hydroxy-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]but-3-enyl]phenyl]-phenylmethanone (CID 143433753) is ethane;[2-[3-hydroxy-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]but-3-enyl]phenyl]-phenylmethanone.

What is the SMILES notation for ethane;[2-[3-hydroxy-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]but-3-enyl]phenyl]-phenylmethanone?

The canonical SMILES for ethane;[2-[3-hydroxy-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]but-3-enyl]phenyl]-phenylmethanone is C=C(O)C(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)Cc1ccccc1C(=O)c1ccccc1.CC.

What is the InChIKey of ethane;[2-[3-hydroxy-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]but-3-enyl]phenyl]-phenylmethanone?

The InChIKey is YYVLBAGOVRQLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33NO4.C2H6/c1-25(38)31(24-30-15-9-10-16-33(30)35(39)28-11-5-3-6-12-28)23-27-17-19-32(20-18-27)40-22-21-34-26(2)41-36(37-34)29-13-7-4-8-14-29;1-2/h3-20,31,38H,1,21-24H2,2H3;1-2H3.

What are the key properties of ethane;[2-[3-hydroxy-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]but-3-enyl]phenyl]-phenylmethanone?

ethane;[2-[3-hydroxy-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]but-3-enyl]phenyl]-phenylmethanone has a molecular weight of 573.73 g/mol, XLogP of 9.00, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;[2-[3-hydroxy-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]but-3-enyl]phenyl]-phenylmethanone is sourced from PubChem (CID 143433753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).