(E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide

C19H19ClN4O2S — CID 30804682

About (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide

(E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide (PubChem CID 30804682) has the molecular formula C19H19ClN4O2S and a molecular weight of 402.91 g/mol. Its IUPAC name is (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide
• PubChem CID: 30804682
• Molecular Formula: C19H19ClN4O2S
• Molecular Weight: 402.91 g/mol
• Exact Mass: 402.09
• IUPAC Name: (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide
• SMILES: Cc1nc(/C=C/C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C(C)C)cs1
• InChI: InChI=1S/C19H19ClN4O2S/c1-12(2)24(18(25)9-8-16-11-27-13(3)21-16)10-17-22-23-19(26-17)14-4-6-15(20)7-5-14/h4-9,11-12H,10H2,1-3H3/b9-8+
• InChIKey: WJRINYLSFHXRKC-CMDGGOBGSA-N
• XLogP: 4.61
• TPSA: 72.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.91
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	0
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)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide?

The IUPAC name of (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide (CID 30804682) is (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide.

What is the SMILES notation for (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide?

The canonical SMILES for (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide is Cc1nc(/C=C/C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C(C)C)cs1.

What is the InChIKey of (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide?

The InChIKey is WJRINYLSFHXRKC-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H19ClN4O2S/c1-12(2)24(18(25)9-8-16-11-27-13(3)21-16)10-17-22-23-19(26-17)14-4-6-15(20)7-5-14/h4-9,11-12H,10H2,1-3H3/b9-8+.

What are the key properties of (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide?

(E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide has a molecular weight of 402.91 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 30804682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).