N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoroacetyl)-1,2,4-oxadiazol-3-yl]benzamide;N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2,4-oxadiazol-3-yl]benzamide

C52H44F6N8O8S2 — CID 159200886

About N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoroacetyl)-1,2,4-oxadiazol-3-yl]benzamide;N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoroacetyl)-1,2,4-oxadiazol-3-yl]benzamide;N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 159200886) has the molecular formula C52H44F6N8O8S2 and a molecular weight of 1087.09 g/mol. Its IUPAC name is N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoroacetyl)-1,2,4-oxadiazol-3-yl]benzamide;N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

• Compound Name: N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoroacetyl)-1,2,4-oxadiazol-3-yl]benzamide;N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2,4-oxadiazol-3-yl]benzamide
• PubChem CID: 159200886
• Molecular Formula: C52H44F6N8O8S2
• Molecular Weight: 1087.09 g/mol
• Exact Mass: 1086.26
• IUPAC Name: N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoroacetyl)-1,2,4-oxadiazol-3-yl]benzamide;N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2,4-oxadiazol-3-yl]benzamide
• SMILES: O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1cccc(-c2noc(C(=O)C(F)(F)F)n2)c1.O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1cccc(-c2noc(C(O)C(F)(F)F)n2)c1
• InChI: InChI=1S/C26H23F3N4O4S.C26H21F3N4O4S/c2*27-26(28,29)20(34)23-32-21(33-37-23)17-7-4-8-18(13-17)22(35)30-15-25(9-11-36-12-10-25)24-31-19(14-38-24)16-5-2-1-3-6-16/h1-8,13-14,20,34H,9-12,15H2,(H,30,35);1-8,13-14H,9-12,15H2,(H,30,35)
• InChIKey: KPGSFSLOHAGNFO-UHFFFAOYSA-N
• XLogP: 10.02
• TPSA: 217.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1087.09
LogP ≤ 5	10.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoroacetyl)-1,2,4-oxadiazol-3-yl]benzamide;N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2,4-oxadiazol-3-yl]benzamide?

The IUPAC name of N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoroacetyl)-1,2,4-oxadiazol-3-yl]benzamide;N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 159200886) is N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoroacetyl)-1,2,4-oxadiazol-3-yl]benzamide;N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2,4-oxadiazol-3-yl]benzamide.

What is the SMILES notation for N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoroacetyl)-1,2,4-oxadiazol-3-yl]benzamide;N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2,4-oxadiazol-3-yl]benzamide?

The canonical SMILES for N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoroacetyl)-1,2,4-oxadiazol-3-yl]benzamide;N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2,4-oxadiazol-3-yl]benzamide is O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1cccc(-c2noc(C(=O)C(F)(F)F)n2)c1.O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1cccc(-c2noc(C(O)C(F)(F)F)n2)c1.

What is the InChIKey of N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoroacetyl)-1,2,4-oxadiazol-3-yl]benzamide;N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2,4-oxadiazol-3-yl]benzamide?

The InChIKey is KPGSFSLOHAGNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O4S.C26H21F3N4O4S/c2*27-26(28,29)20(34)23-32-21(33-37-23)17-7-4-8-18(13-17)22(35)30-15-25(9-11-36-12-10-25)24-31-19(14-38-24)16-5-2-1-3-6-16/h1-8,13-14,20,34H,9-12,15H2,(H,30,35);1-8,13-14H,9-12,15H2,(H,30,35).

What are the key properties of N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoroacetyl)-1,2,4-oxadiazol-3-yl]benzamide;N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2,4-oxadiazol-3-yl]benzamide?

N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoroacetyl)-1,2,4-oxadiazol-3-yl]benzamide;N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 1087.09 g/mol, XLogP of 10.02, 14 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoroacetyl)-1,2,4-oxadiazol-3-yl]benzamide;N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(2,2,2-trifluoro-1-hydroxyethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 159200886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).