1-[[3-hydroxy-1-(1,3-oxazolidin-2-yl)butan-2-yl]amino]hexadecan-1-ol

C23H48N2O3 — CID 91306363

IUPAC1-[[3-hydroxy-1-(1,3-oxazolidin-2-yl)butan-2-yl]amino]hexadecan-1-ol
SMILESCCCCCCCCCCCCCCCC(O)NC(CC1NCCO1)C(C)O
InChIInChI=1S/C23H48N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(27)25-21(20(2)26)19-23-24-17-18-28-23/h20-27H,3-19H2,1-2H3
InChIKeyLTPQERYUBWUBQJ-UHFFFAOYSA-N
MW400.65 g/mol
LogP4.46
Rot. Bonds19

About 1-[[3-hydroxy-1-(1,3-oxazolidin-2-yl)butan-2-yl]amino]hexadecan-1-ol

1-[[3-hydroxy-1-(1,3-oxazolidin-2-yl)butan-2-yl]amino]hexadecan-1-ol (PubChem CID 91306363) has the molecular formula C23H48N2O3 and a molecular weight of 400.65 g/mol. Its IUPAC name is 1-[[3-hydroxy-1-(1,3-oxazolidin-2-yl)butan-2-yl]amino]hexadecan-1-ol.

Molecular Properties

Compound Name1-[[3-hydroxy-1-(1,3-oxazolidin-2-yl)butan-2-yl]amino]hexadecan-1-ol
PubChem CID91306363
Molecular FormulaC23H48N2O3
Molecular Weight400.65 g/mol
Exact Mass400.37
IUPAC Name1-[[3-hydroxy-1-(1,3-oxazolidin-2-yl)butan-2-yl]amino]hexadecan-1-ol
SMILESCCCCCCCCCCCCCCCC(O)NC(CC1NCCO1)C(C)O
InChIInChI=1S/C23H48N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(27)25-21(20(2)26)19-23-24-17-18-28-23/h20-27H,3-19H2,1-2H3
InChIKeyLTPQERYUBWUBQJ-UHFFFAOYSA-N
XLogP4.46
TPSA73.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.65
LogP ≤ 54.46
H-Bond Donors ≤ 54
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'}

Analyze 1-[[3-hydroxy-1-(1,3-oxazolidin-2-yl)butan-2-yl]amino]hexadecan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-(1-hydroxyethylamino)hexan-1-ol
CID 57293401
(Z)-1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]octadec-9-en-1-ol
CID 143858810
2-(1,3-oxazolidin-2-yl)tetradecanamide
CID 56992826
2-(1,3-oxazolidin-2-yl)hexadecanamide
CID 57010637
3-(methylamino)octan-2-ol
CID 166770320
1-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-(1-hydroxytetradecylamino)butane-1,3-diol
CID 90790464
2-(2-octyldecyl)-1,3-dioxolane
CID 68995066
1-(1-aminobutylamino)heptan-1-ol
CID 142734448
1-(octan-3-ylamino)hexan-1-ol
CID 155661048
1-(heptan-2-ylamino)butan-1-ol
CID 155661002
1-[2-(1,3-oxazolidin-2-yl)ethoxy]ethanol
CID 141360794
(Z)-2-(1-hydroxyethyl)-1-imidazolidin-2-yloctadec-9-en-1-one
CID 174727621

Frequently Asked Questions

What is the IUPAC name of 1-[[3-hydroxy-1-(1,3-oxazolidin-2-yl)butan-2-yl]amino]hexadecan-1-ol?
The IUPAC name of 1-[[3-hydroxy-1-(1,3-oxazolidin-2-yl)butan-2-yl]amino]hexadecan-1-ol (CID 91306363) is 1-[[3-hydroxy-1-(1,3-oxazolidin-2-yl)butan-2-yl]amino]hexadecan-1-ol.
What is the SMILES notation for 1-[[3-hydroxy-1-(1,3-oxazolidin-2-yl)butan-2-yl]amino]hexadecan-1-ol?
The canonical SMILES for 1-[[3-hydroxy-1-(1,3-oxazolidin-2-yl)butan-2-yl]amino]hexadecan-1-ol is CCCCCCCCCCCCCCCC(O)NC(CC1NCCO1)C(C)O.
What is the InChIKey of 1-[[3-hydroxy-1-(1,3-oxazolidin-2-yl)butan-2-yl]amino]hexadecan-1-ol?
The InChIKey is LTPQERYUBWUBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(27)25-21(20(2)26)19-23-24-17-18-28-23/h20-27H,3-19H2,1-2H3.
What are the key properties of 1-[[3-hydroxy-1-(1,3-oxazolidin-2-yl)butan-2-yl]amino]hexadecan-1-ol?
1-[[3-hydroxy-1-(1,3-oxazolidin-2-yl)butan-2-yl]amino]hexadecan-1-ol has a molecular weight of 400.65 g/mol, XLogP of 4.46, 19 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-hydroxy-1-(1,3-oxazolidin-2-yl)butan-2-yl]amino]hexadecan-1-ol is sourced from PubChem (CID 91306363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).