5-(hydroxymethyl)-4-pentadecyl-1,3-oxazolidin-2-one

C19H37NO3 — CID 15847421

IUPAC5-(hydroxymethyl)-4-pentadecyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCCCC1NC(=O)OC1CO
InChIInChI=1S/C19H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(16-21)23-19(22)20-17/h17-18,21H,2-16H2,1H3,(H,20,22)
InChIKeyZSFCVPQVRKLEHL-UHFFFAOYSA-N
MW327.51 g/mol
LogP4.94
Rot. Bonds15

About 5-(hydroxymethyl)-4-pentadecyl-1,3-oxazolidin-2-one

5-(hydroxymethyl)-4-pentadecyl-1,3-oxazolidin-2-one (PubChem CID 15847421) has the molecular formula C19H37NO3 and a molecular weight of 327.51 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-pentadecyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-pentadecyl-1,3-oxazolidin-2-one
PubChem CID15847421
Molecular FormulaC19H37NO3
Molecular Weight327.51 g/mol
Exact Mass327.28
IUPAC Name5-(hydroxymethyl)-4-pentadecyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCCCC1NC(=O)OC1CO
InChIInChI=1S/C19H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(16-21)23-19(22)20-17/h17-18,21H,2-16H2,1H3,(H,20,22)
InChIKeyZSFCVPQVRKLEHL-UHFFFAOYSA-N
XLogP4.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S)-5-(hydroxymethyl)-4-pentyl-1,3-oxazolidin-2-one
CID 10797671
(4R,5S)-4-butyl-5-(chloromethyl)-1,3-oxazolidin-2-one
CID 15531680
(4S,5R)-5-heptyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 15698621
(4R,5S)-4-butyl-5-(2-phenylethyl)-1,3-oxazolidin-2-one
CID 11253654
(4R,5S)-4-methyl-5-propyl-1,3-oxazolidin-2-one
CID 55298752
(4R,5S)-5-[(4R,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-propyl-1,3-oxazolidin-2-one
CID 46237106
(4R,5S)-5-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-propyl-1,3-oxazolidin-2-one
CID 46236991
(4S,5R)-5-butyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 175653837
[(2S,3S)-3-heptyloxiran-2-yl]methanol
CID 11019334
(4S,5S)-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylic acid
CID 14310923
(4R,5R)-4-(hydroxymethyl)-3-methylidene-5-tridecyloxolan-2-one
CID 10781286
5-tert-butyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 14310920

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-pentadecyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-4-pentadecyl-1,3-oxazolidin-2-one (CID 15847421) is 5-(hydroxymethyl)-4-pentadecyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-4-pentadecyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-4-pentadecyl-1,3-oxazolidin-2-one is CCCCCCCCCCCCCCCC1NC(=O)OC1CO.
What is the InChIKey of 5-(hydroxymethyl)-4-pentadecyl-1,3-oxazolidin-2-one?
The InChIKey is ZSFCVPQVRKLEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(16-21)23-19(22)20-17/h17-18,21H,2-16H2,1H3,(H,20,22).
What are the key properties of 5-(hydroxymethyl)-4-pentadecyl-1,3-oxazolidin-2-one?
5-(hydroxymethyl)-4-pentadecyl-1,3-oxazolidin-2-one has a molecular weight of 327.51 g/mol, XLogP of 4.94, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-pentadecyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15847421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).