Sodium;hydride;[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol;(3R)-1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol;(4S)-undecan-4-ol

C₄₁H₆₇N₂NaO₆ — CID 159317676

About Sodium;hydride;[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol;(3R)-1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol;(4S)-undecan-4-ol

Sodium;hydride;[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol;(3R)-1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol;(4S)-undecan-4-ol (PubChem CID 159317676) has the molecular formula C₄₁H₆₇N₂NaO₆ and a molecular weight of 706.99 g/mol. Its IUPAC name is sodium;hydride;[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol;(3R)-1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol;(4S)-undecan-4-ol.

Molecular Properties

• Compound Name: Sodium;hydride;[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol;(3R)-1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol;(4S)-undecan-4-ol
• PubChem CID: 159317676
• Molecular Formula: C₄₁H₆₇N₂NaO₆
• Molecular Weight: 706.99 g/mol
• Exact Mass: 706.49
• IUPAC Name: sodium;hydride;[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol;(3R)-1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol;(4S)-undecan-4-ol
• SMILES: CCCCCCC[C@@H](O)CCC.CCCCCCC[C@@H](O)CCOC[C@@H]1COC(c2ccccc2)=N1.OC[C@@H]1COC(c2ccccc2)=N1.[H-].[Na+]
• InChI: InChI=1S/C20H31NO3.C11H24O.C10H11NO2.Na.H/c1-2-3-4-5-9-12-19(22)13-14-23-15-18-16-24-20(21-18)17-10-7-6-8-11-17;1-3-5-6-7-8-10-11(12)9-4-2;12-6-9-7-13-10(11-9)8-4-2-1-3-5-8;;/h6-8,10-11,18-19,22H,2-5,9,12-16H2,1H3;11-12H,3-10H2,1-2H3;1-5,9,12H,6-7H2;;/q;;;+1;-1/t18-,19-;11-;9-;;/m101../s1
• InChIKey: LJANTAGXHCCSQL-PXUQVCJLSA-N
• XLogP: 5.41
• TPSA: 113.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 22
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	706.99
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Sodium;hydride;[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol;(3R)-1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol;(4S)-undecan-4-ol?

The IUPAC name of Sodium;hydride;[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol;(3R)-1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol;(4S)-undecan-4-ol (CID 159317676) is sodium;hydride;[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol;(3R)-1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol;(4S)-undecan-4-ol.

What is the SMILES notation for Sodium;hydride;[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol;(3R)-1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol;(4S)-undecan-4-ol?

The canonical SMILES for Sodium;hydride;[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol;(3R)-1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol;(4S)-undecan-4-ol is CCCCCCC[C@@H](O)CCC.CCCCCCC[C@@H](O)CCOC[C@@H]1COC(c2ccccc2)=N1.OC[C@@H]1COC(c2ccccc2)=N1.[H-].[Na+].

What is the InChIKey of Sodium;hydride;[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol;(3R)-1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol;(4S)-undecan-4-ol?

The InChIKey is LJANTAGXHCCSQL-PXUQVCJLSA-N. The full InChI is InChI=1S/C20H31NO3.C11H24O.C10H11NO2.Na.H/c1-2-3-4-5-9-12-19(22)13-14-23-15-18-16-24-20(21-18)17-10-7-6-8-11-17;1-3-5-6-7-8-10-11(12)9-4-2;12-6-9-7-13-10(11-9)8-4-2-1-3-5-8;;/h6-8,10-11,18-19,22H,2-5,9,12-16H2,1H3;11-12H,3-10H2,1-2H3;1-5,9,12H,6-7H2;;/q;;;+1;-1/t18-,19-;11-;9-;;/m101../s1.

What are the key properties of Sodium;hydride;[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol;(3R)-1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol;(4S)-undecan-4-ol?

Sodium;hydride;[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol;(3R)-1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol;(4S)-undecan-4-ol has a molecular weight of 706.99 g/mol, XLogP of 5.41, 22 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Sodium;hydride;[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol;(3R)-1-[[(4R)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methoxy]decan-3-ol;(4S)-undecan-4-ol is sourced from PubChem (CID 159317676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159317676 — identifiers, structure, computed properties (public domain)

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