(4S,5S)-5-[(1S)-1-hydroxypentadecyl]-4-[(E)-pent-1-enyl]-1,3-oxazolidin-2-one

C23H43NO3 — CID 102597228

IUPAC(4S,5S)-5-[(1S)-1-hydroxypentadecyl]-4-[(E)-pent-1-enyl]-1,3-oxazolidin-2-one
SMILESCCC/C=C/[C@@H]1NC(=O)O[C@@H]1[C@@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C23H43NO3/c1-3-5-7-8-9-10-11-12-13-14-15-17-19-21(25)22-20(18-16-6-4-2)24-23(26)27-22/h16,18,20-22,25H,3-15,17,19H2,1-2H3,(H,24,26)/b18-16+/t20-,21-,22-/m0/s1
InChIKeyKNDOYXXPMWUGND-IVOWJGFJSA-N
MW381.60 g/mol
LogP6.27
Rot. Bonds17

About (4S,5S)-5-[(1S)-1-hydroxypentadecyl]-4-[(E)-pent-1-enyl]-1,3-oxazolidin-2-one

(4S,5S)-5-[(1S)-1-hydroxypentadecyl]-4-[(E)-pent-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 102597228) has the molecular formula C23H43NO3 and a molecular weight of 381.60 g/mol. Its IUPAC name is (4S,5S)-5-[(1S)-1-hydroxypentadecyl]-4-[(E)-pent-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-[(1S)-1-hydroxypentadecyl]-4-[(E)-pent-1-enyl]-1,3-oxazolidin-2-one
PubChem CID102597228
Molecular FormulaC23H43NO3
Molecular Weight381.60 g/mol
Exact Mass381.32
IUPAC Name(4S,5S)-5-[(1S)-1-hydroxypentadecyl]-4-[(E)-pent-1-enyl]-1,3-oxazolidin-2-one
SMILESCCC/C=C/[C@@H]1NC(=O)O[C@@H]1[C@@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C23H43NO3/c1-3-5-7-8-9-10-11-12-13-14-15-17-19-21(25)22-20(18-16-6-4-2)24-23(26)27-22/h16,18,20-22,25H,3-15,17,19H2,1-2H3,(H,24,26)/b18-16+/t20-,21-,22-/m0/s1
InChIKeyKNDOYXXPMWUGND-IVOWJGFJSA-N
XLogP6.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.60
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[(1S)-1-hydroxypentadecyl]-4-[(E)-pent-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-5-[(1S)-1-hydroxypentadecyl]-4-[(E)-pent-1-enyl]-1,3-oxazolidin-2-one (CID 102597228) is (4S,5S)-5-[(1S)-1-hydroxypentadecyl]-4-[(E)-pent-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-5-[(1S)-1-hydroxypentadecyl]-4-[(E)-pent-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-5-[(1S)-1-hydroxypentadecyl]-4-[(E)-pent-1-enyl]-1,3-oxazolidin-2-one is CCC/C=C/[C@@H]1NC(=O)O[C@@H]1[C@@H](O)CCCCCCCCCCCCCC.
What is the InChIKey of (4S,5S)-5-[(1S)-1-hydroxypentadecyl]-4-[(E)-pent-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is KNDOYXXPMWUGND-IVOWJGFJSA-N. The full InChI is InChI=1S/C23H43NO3/c1-3-5-7-8-9-10-11-12-13-14-15-17-19-21(25)22-20(18-16-6-4-2)24-23(26)27-22/h16,18,20-22,25H,3-15,17,19H2,1-2H3,(H,24,26)/b18-16+/t20-,21-,22-/m0/s1.
What are the key properties of (4S,5S)-5-[(1S)-1-hydroxypentadecyl]-4-[(E)-pent-1-enyl]-1,3-oxazolidin-2-one?
(4S,5S)-5-[(1S)-1-hydroxypentadecyl]-4-[(E)-pent-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 381.60 g/mol, XLogP of 6.27, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[(1S)-1-hydroxypentadecyl]-4-[(E)-pent-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102597228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).