ethyl 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate

C35H32N2O6 — CID 59571731

About ethyl 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate

ethyl 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate (PubChem CID 59571731) has the molecular formula C35H32N2O6 and a molecular weight of 576.65 g/mol. Its IUPAC name is ethyl 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate.

Molecular Properties

• Compound Name: ethyl 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate
• PubChem CID: 59571731
• Molecular Formula: C35H32N2O6
• Molecular Weight: 576.65 g/mol
• Exact Mass: 576.23
• IUPAC Name: ethyl 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate
• SMILES: CCOC(=O)COc1cccc2c1c1ccccc1n2Cc1ccc(OCc2nc(-c3ccccc3)oc2C)c(OC)c1
• InChI: InChI=1S/C35H32N2O6/c1-4-40-33(38)22-42-31-16-10-15-29-34(31)26-13-8-9-14-28(26)37(29)20-24-17-18-30(32(19-24)39-3)41-21-27-23(2)43-35(36-27)25-11-6-5-7-12-25/h5-19H,4,20-22H2,1-3H3
• InChIKey: DTFCYWJTBPMHCV-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 84.95 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.65
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate?

The IUPAC name of ethyl 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate (CID 59571731) is ethyl 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate.

What is the SMILES notation for ethyl 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate?

The canonical SMILES for ethyl 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate is CCOC(=O)COc1cccc2c1c1ccccc1n2Cc1ccc(OCc2nc(-c3ccccc3)oc2C)c(OC)c1.

What is the InChIKey of ethyl 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate?

The InChIKey is DTFCYWJTBPMHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N2O6/c1-4-40-33(38)22-42-31-16-10-15-29-34(31)26-13-8-9-14-28(26)37(29)20-24-17-18-30(32(19-24)39-3)41-21-27-23(2)43-35(36-27)25-11-6-5-7-12-25/h5-19H,4,20-22H2,1-3H3.

What are the key properties of ethyl 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate?

ethyl 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate has a molecular weight of 576.65 g/mol, XLogP of 7.34, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[9-[[3-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]carbazol-4-yl]oxyacetate is sourced from PubChem (CID 59571731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).