3-methoxy-N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]benzamide

C20H17N3O4S — CID 110351076

About 3-methoxy-N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]benzamide

3-methoxy-N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]benzamide (PubChem CID 110351076) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is 3-methoxy-N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]benzamide
• PubChem CID: 110351076
• Molecular Formula: C20H17N3O4S
• Molecular Weight: 395.44 g/mol
• Exact Mass: 395.09
• IUPAC Name: 3-methoxy-N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]benzamide
• SMILES: COc1cccc(C(=O)NCCc2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)c1
• InChI: InChI=1S/C20H17N3O4S/c1-26-14-4-2-3-13(9-14)19(24)21-8-7-18-22-16(11-28-18)12-5-6-15-17(10-12)27-20(25)23-15/h2-6,9-11H,7-8H2,1H3,(H,21,24)(H,23,25)
• InChIKey: PZZIXPHJYQAQGB-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 97.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.44
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]benzamide?

The IUPAC name of 3-methoxy-N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]benzamide (CID 110351076) is 3-methoxy-N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]benzamide.

What is the SMILES notation for 3-methoxy-N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]benzamide?

The canonical SMILES for 3-methoxy-N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]benzamide is COc1cccc(C(=O)NCCc2nc(-c3ccc4[nH]c(=O)oc4c3)cs2)c1.

What is the InChIKey of 3-methoxy-N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]benzamide?

The InChIKey is PZZIXPHJYQAQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-26-14-4-2-3-13(9-14)19(24)21-8-7-18-22-16(11-28-18)12-5-6-15-17(10-12)27-20(25)23-15/h2-6,9-11H,7-8H2,1H3,(H,21,24)(H,23,25).

What are the key properties of 3-methoxy-N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]benzamide?

3-methoxy-N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]benzamide has a molecular weight of 395.44 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-[2-[4-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 110351076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).