Tert-butyl (4S,5S)-5-hydroxy-3-phenyl-4-propyl-4H-1,2-oxazole-5-carboxylate

C₁₇H₂₃NO₄ — CID 154718885

About Tert-butyl (4S,5S)-5-hydroxy-3-phenyl-4-propyl-4H-1,2-oxazole-5-carboxylate

Tert-butyl (4S,5S)-5-hydroxy-3-phenyl-4-propyl-4H-1,2-oxazole-5-carboxylate (PubChem CID 154718885) has the molecular formula C₁₇H₂₃NO₄ and a molecular weight of 305.37 g/mol. Its IUPAC name is tert-butyl (4S,5S)-5-hydroxy-3-phenyl-4-propyl-4H-1,2-oxazole-5-carboxylate.

Molecular Properties

• Compound Name: Tert-butyl (4S,5S)-5-hydroxy-3-phenyl-4-propyl-4H-1,2-oxazole-5-carboxylate
• PubChem CID: 154718885
• Molecular Formula: C₁₇H₂₃NO₄
• Molecular Weight: 305.37 g/mol
• Exact Mass: 305.16
• IUPAC Name: tert-butyl (4S,5S)-5-hydroxy-3-phenyl-4-propyl-4H-1,2-oxazole-5-carboxylate
• SMILES: CCC[C@H]1C(c2ccccc2)=NO[C@]1(O)C(=O)OC(C)(C)C
• InChI: InChI=1S/C17H23NO4/c1-5-9-13-14(12-10-7-6-8-11-12)18-22-17(13,20)15(19)21-16(2,3)4/h6-8,10-11,13,20H,5,9H2,1-4H3/t13-,17-/m0/s1
• InChIKey: MCNPCKDHKAOZOX-GUYCJALGSA-N
• XLogP: 2.87
• TPSA: 68.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.37
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Tert-butyl (4S,5S)-5-hydroxy-3-phenyl-4-propyl-4H-1,2-oxazole-5-carboxylate?

The IUPAC name of Tert-butyl (4S,5S)-5-hydroxy-3-phenyl-4-propyl-4H-1,2-oxazole-5-carboxylate (CID 154718885) is tert-butyl (4S,5S)-5-hydroxy-3-phenyl-4-propyl-4H-1,2-oxazole-5-carboxylate.

What is the SMILES notation for Tert-butyl (4S,5S)-5-hydroxy-3-phenyl-4-propyl-4H-1,2-oxazole-5-carboxylate?

The canonical SMILES for Tert-butyl (4S,5S)-5-hydroxy-3-phenyl-4-propyl-4H-1,2-oxazole-5-carboxylate is CCC[C@H]1C(c2ccccc2)=NO[C@]1(O)C(=O)OC(C)(C)C.

What is the InChIKey of Tert-butyl (4S,5S)-5-hydroxy-3-phenyl-4-propyl-4H-1,2-oxazole-5-carboxylate?

The InChIKey is MCNPCKDHKAOZOX-GUYCJALGSA-N. The full InChI is InChI=1S/C17H23NO4/c1-5-9-13-14(12-10-7-6-8-11-12)18-22-17(13,20)15(19)21-16(2,3)4/h6-8,10-11,13,20H,5,9H2,1-4H3/t13-,17-/m0/s1.

What are the key properties of Tert-butyl (4S,5S)-5-hydroxy-3-phenyl-4-propyl-4H-1,2-oxazole-5-carboxylate?

Tert-butyl (4S,5S)-5-hydroxy-3-phenyl-4-propyl-4H-1,2-oxazole-5-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl (4S,5S)-5-hydroxy-3-phenyl-4-propyl-4H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 154718885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154718885 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.