N-(2-hydroxy-2-methylpropyl)-3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]propanamide

C27H26F3N5O6 — CID 53496599

About N-(2-hydroxy-2-methylpropyl)-3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]propanamide

N-(2-hydroxy-2-methylpropyl)-3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]propanamide (PubChem CID 53496599) has the molecular formula C27H26F3N5O6 and a molecular weight of 573.53 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]propanamide.

Molecular Properties

• Compound Name: N-(2-hydroxy-2-methylpropyl)-3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]propanamide
• PubChem CID: 53496599
• Molecular Formula: C27H26F3N5O6
• Molecular Weight: 573.53 g/mol
• Exact Mass: 573.18
• IUPAC Name: N-(2-hydroxy-2-methylpropyl)-3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]propanamide
• SMILES: CC(C)(O)CNC(=O)CCNC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1
• InChI: InChI=1S/C27H26F3N5O6/c1-26(2,39)14-32-18(36)12-13-31-24(38)21(37)16-8-10-17(11-9-16)23-33-25(41-35-23)22-19(27(28,29)30)20(34-40-22)15-6-4-3-5-7-15/h3-11,21,37,39H,12-14H2,1-2H3,(H,31,38)(H,32,36)
• InChIKey: NCSSHEINVZSGIO-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 163.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.53
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]propanamide?

The IUPAC name of N-(2-hydroxy-2-methylpropyl)-3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]propanamide (CID 53496599) is N-(2-hydroxy-2-methylpropyl)-3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]propanamide.

What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]propanamide?

The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]propanamide is CC(C)(O)CNC(=O)CCNC(=O)C(O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1.

What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]propanamide?

The InChIKey is NCSSHEINVZSGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N5O6/c1-26(2,39)14-32-18(36)12-13-31-24(38)21(37)16-8-10-17(11-9-16)23-33-25(41-35-23)22-19(27(28,29)30)20(34-40-22)15-6-4-3-5-7-15/h3-11,21,37,39H,12-14H2,1-2H3,(H,31,38)(H,32,36).

What are the key properties of N-(2-hydroxy-2-methylpropyl)-3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]propanamide?

N-(2-hydroxy-2-methylpropyl)-3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]propanamide has a molecular weight of 573.53 g/mol, XLogP of 3.50, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxy-2-methylpropyl)-3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]propanamide is sourced from PubChem (CID 53496599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).