3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]prop-2-enoic acid

C22H17NO5 — CID 70283163

About 3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]prop-2-enoic acid

3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]prop-2-enoic acid (PubChem CID 70283163) has the molecular formula C22H17NO5 and a molecular weight of 375.38 g/mol. Its IUPAC name is 3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]prop-2-enoic acid.

Molecular Properties

• Compound Name: 3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]prop-2-enoic acid
• PubChem CID: 70283163
• Molecular Formula: C22H17NO5
• Molecular Weight: 375.38 g/mol
• Exact Mass: 375.11
• IUPAC Name: 3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]prop-2-enoic acid
• SMILES: Cc1oc(-c2ccccc2)nc1COc1ccc2coc(C=CC(=O)O)c2c1
• InChI: InChI=1S/C22H17NO5/c1-14-19(23-22(28-14)15-5-3-2-4-6-15)13-26-17-8-7-16-12-27-20(18(16)11-17)9-10-21(24)25/h2-12H,13H2,1H3,(H,24,25)
• InChIKey: IOUZEYCDQFVISN-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 85.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	375.38
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]prop-2-enoic acid?

The IUPAC name of 3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]prop-2-enoic acid (CID 70283163) is 3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]prop-2-enoic acid.

What is the SMILES notation for 3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]prop-2-enoic acid?

The canonical SMILES for 3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]prop-2-enoic acid is Cc1oc(-c2ccccc2)nc1COc1ccc2coc(C=CC(=O)O)c2c1.

What is the InChIKey of 3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]prop-2-enoic acid?

The InChIKey is IOUZEYCDQFVISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO5/c1-14-19(23-22(28-14)15-5-3-2-4-6-15)13-26-17-8-7-16-12-27-20(18(16)11-17)9-10-21(24)25/h2-12H,13H2,1H3,(H,24,25).

What are the key properties of 3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]prop-2-enoic acid?

3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]prop-2-enoic acid has a molecular weight of 375.38 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]prop-2-enoic acid is sourced from PubChem (CID 70283163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).