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

C23H19N3O3S — CID 78890187

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

(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide (PubChem CID 78890187) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide
• PubChem CID: 78890187
• Molecular Formula: C23H19N3O3S
• Molecular Weight: 417.49 g/mol
• Exact Mass: 417.11
• IUPAC Name: (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide
• SMILES: Cc1nc(COc2ccccc2/C=C/C(=O)Nc2ccc(-c3cnco3)cc2)cs1
• InChI: InChI=1S/C23H19N3O3S/c1-16-25-20(14-30-16)13-28-21-5-3-2-4-17(21)8-11-23(27)26-19-9-6-18(7-10-19)22-12-24-15-29-22/h2-12,14-15H,13H2,1H3,(H,26,27)/b11-8+
• InChIKey: KJRLGCGRVCSUBR-DHZHZOJOSA-N
• XLogP: 5.34
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.49
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide?

The IUPAC name of (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide (CID 78890187) is (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide.

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

The canonical SMILES for (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide is Cc1nc(COc2ccccc2/C=C/C(=O)Nc2ccc(-c3cnco3)cc2)cs1.

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

The InChIKey is KJRLGCGRVCSUBR-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-16-25-20(14-30-16)13-28-21-5-3-2-4-17(21)8-11-23(27)26-19-9-6-18(7-10-19)22-12-24-15-29-22/h2-12,14-15H,13H2,1H3,(H,26,27)/b11-8+.

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

(E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide has a molecular weight of 417.49 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-[4-(1,3-oxazol-5-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 78890187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).