4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide

C27H20N4O2S — CID 24591343

About 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide

4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide (PubChem CID 24591343) has the molecular formula C27H20N4O2S and a molecular weight of 464.55 g/mol. Its IUPAC name is 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide.

Molecular Properties

• Compound Name: 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
• PubChem CID: 24591343
• Molecular Formula: C27H20N4O2S
• Molecular Weight: 464.55 g/mol
• Exact Mass: 464.13
• IUPAC Name: 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
• SMILES: C=CCN(C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1nc(-c2ccccc2)cs1
• InChI: InChI=1S/C27H20N4O2S/c1-2-17-31(27-28-23(18-34-27)19-9-5-3-6-10-19)26(32)22-15-13-21(14-16-22)25-30-29-24(33-25)20-11-7-4-8-12-20/h2-16,18H,1,17H2
• InChIKey: UIMPMFZBQARXKV-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 72.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.55
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide?

The IUPAC name of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide (CID 24591343) is 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide.

What is the SMILES notation for 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide?

The canonical SMILES for 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide is C=CCN(C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1nc(-c2ccccc2)cs1.

What is the InChIKey of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide?

The InChIKey is UIMPMFZBQARXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O2S/c1-2-17-31(27-28-23(18-34-27)19-9-5-3-6-10-19)26(32)22-15-13-21(14-16-22)25-30-29-24(33-25)20-11-7-4-8-12-20/h2-16,18H,1,17H2.

What are the key properties of 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide?

4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide has a molecular weight of 464.55 g/mol, XLogP of 6.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 24591343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).