(4S)-4-[(E,1R)-1-(methoxymethoxy)hexadec-2-enyl]-3-(methoxymethyl)-1,3-oxazolidin-2-one

C23H43NO5 — CID 10693074

IUPAC(4S)-4-[(E,1R)-1-(methoxymethoxy)hexadec-2-enyl]-3-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCC/C=C/[C@@H](OCOC)[C@@H]1COC(=O)N1COC
InChIInChI=1S/C23H43NO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(29-20-27-3)21-18-28-23(25)24(21)19-26-2/h16-17,21-22H,4-15,18-20H2,1-3H3/b17-16+/t21-,22+/m0/s1
InChIKeyFCMPQNYJNSARBV-FYBNUODKSA-N
MW413.60 g/mol
LogP5.66
Rot. Bonds19

About (4S)-4-[(E,1R)-1-(methoxymethoxy)hexadec-2-enyl]-3-(methoxymethyl)-1,3-oxazolidin-2-one

(4S)-4-[(E,1R)-1-(methoxymethoxy)hexadec-2-enyl]-3-(methoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 10693074) has the molecular formula C23H43NO5 and a molecular weight of 413.60 g/mol. Its IUPAC name is (4S)-4-[(E,1R)-1-(methoxymethoxy)hexadec-2-enyl]-3-(methoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(E,1R)-1-(methoxymethoxy)hexadec-2-enyl]-3-(methoxymethyl)-1,3-oxazolidin-2-one
PubChem CID10693074
Molecular FormulaC23H43NO5
Molecular Weight413.60 g/mol
Exact Mass413.31
IUPAC Name(4S)-4-[(E,1R)-1-(methoxymethoxy)hexadec-2-enyl]-3-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCC/C=C/[C@@H](OCOC)[C@@H]1COC(=O)N1COC
InChIInChI=1S/C23H43NO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(29-20-27-3)21-18-28-23(25)24(21)19-26-2/h16-17,21-22H,4-15,18-20H2,1-3H3/b17-16+/t21-,22+/m0/s1
InChIKeyFCMPQNYJNSARBV-FYBNUODKSA-N
XLogP5.66
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.60
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4S)-4-[(E,1R)-1-(methoxymethoxy)hexadec-2-enyl]-3-(methoxymethyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(E,1R)-1-(methoxymethoxy)hexadec-2-enyl]-3-(methoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[(E,1R)-1-(methoxymethoxy)hexadec-2-enyl]-3-(methoxymethyl)-1,3-oxazolidin-2-one (CID 10693074) is (4S)-4-[(E,1R)-1-(methoxymethoxy)hexadec-2-enyl]-3-(methoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[(E,1R)-1-(methoxymethoxy)hexadec-2-enyl]-3-(methoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[(E,1R)-1-(methoxymethoxy)hexadec-2-enyl]-3-(methoxymethyl)-1,3-oxazolidin-2-one is CCCCCCCCCCCCC/C=C/[C@@H](OCOC)[C@@H]1COC(=O)N1COC.
What is the InChIKey of (4S)-4-[(E,1R)-1-(methoxymethoxy)hexadec-2-enyl]-3-(methoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is FCMPQNYJNSARBV-FYBNUODKSA-N. The full InChI is InChI=1S/C23H43NO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(29-20-27-3)21-18-28-23(25)24(21)19-26-2/h16-17,21-22H,4-15,18-20H2,1-3H3/b17-16+/t21-,22+/m0/s1.
What are the key properties of (4S)-4-[(E,1R)-1-(methoxymethoxy)hexadec-2-enyl]-3-(methoxymethyl)-1,3-oxazolidin-2-one?
(4S)-4-[(E,1R)-1-(methoxymethoxy)hexadec-2-enyl]-3-(methoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 413.60 g/mol, XLogP of 5.66, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(E,1R)-1-(methoxymethoxy)hexadec-2-enyl]-3-(methoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10693074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).