(E)-3-(2,5-dimethoxyphenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide

C27H24N2O4 — CID 24830945

About (E)-3-(2,5-dimethoxyphenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide

(E)-3-(2,5-dimethoxyphenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide (PubChem CID 24830945) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is (E)-3-(2,5-dimethoxyphenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-3-(2,5-dimethoxyphenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide
• PubChem CID: 24830945
• Molecular Formula: C27H24N2O4
• Molecular Weight: 440.50 g/mol
• Exact Mass: 440.17
• IUPAC Name: (E)-3-(2,5-dimethoxyphenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide
• SMILES: COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(-c3cc(-c4ncco4)ccc3C)cc2)c1
• InChI: InChI=1S/C27H24N2O4/c1-18-4-5-21(27-28-14-15-33-27)17-24(18)19-6-9-22(10-7-19)29-26(30)13-8-20-16-23(31-2)11-12-25(20)32-3/h4-17H,1-3H3,(H,29,30)/b13-8+
• InChIKey: GKECJKFMDAFING-MDWZMJQESA-N
• XLogP: 5.99
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.50
LogP ≤ 5	5.99
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 (E)-3-(2,5-dimethoxyphenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide?

The IUPAC name of (E)-3-(2,5-dimethoxyphenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide (CID 24830945) is (E)-3-(2,5-dimethoxyphenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide.

What is the SMILES notation for (E)-3-(2,5-dimethoxyphenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide?

The canonical SMILES for (E)-3-(2,5-dimethoxyphenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide is COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(-c3cc(-c4ncco4)ccc3C)cc2)c1.

What is the InChIKey of (E)-3-(2,5-dimethoxyphenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide?

The InChIKey is GKECJKFMDAFING-MDWZMJQESA-N. The full InChI is InChI=1S/C27H24N2O4/c1-18-4-5-21(27-28-14-15-33-27)17-24(18)19-6-9-22(10-7-19)29-26(30)13-8-20-16-23(31-2)11-12-25(20)32-3/h4-17H,1-3H3,(H,29,30)/b13-8+.

What are the key properties of (E)-3-(2,5-dimethoxyphenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide?

(E)-3-(2,5-dimethoxyphenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide has a molecular weight of 440.50 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-(2,5-dimethoxyphenyl)-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]prop-2-enamide is sourced from PubChem (CID 24830945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).