7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid

C28H25NO5 — CID 11669684

About 7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid

7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid (PubChem CID 11669684) has the molecular formula C28H25NO5 and a molecular weight of 455.51 g/mol. Its IUPAC name is 7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid
• PubChem CID: 11669684
• Molecular Formula: C28H25NO5
• Molecular Weight: 455.51 g/mol
• Exact Mass: 455.17
• IUPAC Name: 7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid
• SMILES: Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc2c(c1)OCC(C(=O)O)C2
• InChI: InChI=1S/C28H25NO5/c1-18-25(13-14-32-24-12-11-22-15-23(28(30)31)17-33-26(22)16-24)29-27(34-18)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-12,16,23H,13-15,17H2,1H3,(H,30,31)
• InChIKey: JQZXSALQRYGBNN-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 81.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.51
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid?

The IUPAC name of 7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid (CID 11669684) is 7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid.

What is the SMILES notation for 7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid?

The canonical SMILES for 7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid is Cc1oc(-c2ccc(-c3ccccc3)cc2)nc1CCOc1ccc2c(c1)OCC(C(=O)O)C2.

What is the InChIKey of 7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid?

The InChIKey is JQZXSALQRYGBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO5/c1-18-25(13-14-32-24-12-11-22-15-23(28(30)31)17-33-26(22)16-24)29-27(34-18)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-12,16,23H,13-15,17H2,1H3,(H,30,31).

What are the key properties of 7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid?

7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid has a molecular weight of 455.51 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 11669684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).