(4S)-4-[(1R,2S)-1,2-dihydroxyhexadecyl]-1,3-oxazolidin-2-one

C19H37NO4 — CID 102113748

IUPAC(4S)-4-[(1R,2S)-1,2-dihydroxyhexadecyl]-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCC[C@H](O)[C@H](O)[C@@H]1COC(=O)N1
InChIInChI=1S/C19H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16-15-24-19(23)20-16/h16-18,21-22H,2-15H2,1H3,(H,20,23)/t16-,17-,18+/m0/s1
InChIKeyKIFDMWFPNYLDIL-OKZBNKHCSA-N
MW343.51 g/mol
LogP3.91
Rot. Bonds15

About (4S)-4-[(1R,2S)-1,2-dihydroxyhexadecyl]-1,3-oxazolidin-2-one

(4S)-4-[(1R,2S)-1,2-dihydroxyhexadecyl]-1,3-oxazolidin-2-one (PubChem CID 102113748) has the molecular formula C19H37NO4 and a molecular weight of 343.51 g/mol. Its IUPAC name is (4S)-4-[(1R,2S)-1,2-dihydroxyhexadecyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(1R,2S)-1,2-dihydroxyhexadecyl]-1,3-oxazolidin-2-one
PubChem CID102113748
Molecular FormulaC19H37NO4
Molecular Weight343.51 g/mol
Exact Mass343.27
IUPAC Name(4S)-4-[(1R,2S)-1,2-dihydroxyhexadecyl]-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCC[C@H](O)[C@H](O)[C@@H]1COC(=O)N1
InChIInChI=1S/C19H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16-15-24-19(23)20-16/h16-18,21-22H,2-15H2,1H3,(H,20,23)/t16-,17-,18+/m0/s1
InChIKeyKIFDMWFPNYLDIL-OKZBNKHCSA-N
XLogP3.91
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1R,2S)-1,2-dihydroxyhexadecyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[(1R,2S)-1,2-dihydroxyhexadecyl]-1,3-oxazolidin-2-one (CID 102113748) is (4S)-4-[(1R,2S)-1,2-dihydroxyhexadecyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[(1R,2S)-1,2-dihydroxyhexadecyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[(1R,2S)-1,2-dihydroxyhexadecyl]-1,3-oxazolidin-2-one is CCCCCCCCCCCCCC[C@H](O)[C@H](O)[C@@H]1COC(=O)N1.
What is the InChIKey of (4S)-4-[(1R,2S)-1,2-dihydroxyhexadecyl]-1,3-oxazolidin-2-one?
The InChIKey is KIFDMWFPNYLDIL-OKZBNKHCSA-N. The full InChI is InChI=1S/C19H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16-15-24-19(23)20-16/h16-18,21-22H,2-15H2,1H3,(H,20,23)/t16-,17-,18+/m0/s1.
What are the key properties of (4S)-4-[(1R,2S)-1,2-dihydroxyhexadecyl]-1,3-oxazolidin-2-one?
(4S)-4-[(1R,2S)-1,2-dihydroxyhexadecyl]-1,3-oxazolidin-2-one has a molecular weight of 343.51 g/mol, XLogP of 3.91, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1R,2S)-1,2-dihydroxyhexadecyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102113748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).