(2R,5R)-4-(3-hydroxypropyl)-2-pentadecyl-1,3-oxazolidin-5-ol

C21H43NO3 — CID 71286576

IUPAC(2R,5R)-4-(3-hydroxypropyl)-2-pentadecyl-1,3-oxazolidin-5-ol
SMILESCCCCCCCCCCCCCCC[C@@H]1NC(CCCO)[C@H](O)O1
InChIInChI=1S/C21H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-22-19(16-15-18-23)21(24)25-20/h19-24H,2-18H2,1H3/t19?,20-,21-/m1/s1
InChIKeyVCKIEWNCQPCYNO-RWLBOTFQSA-N
MW357.58 g/mol
LogP4.87
Rot. Bonds17

About (2R,5R)-4-(3-hydroxypropyl)-2-pentadecyl-1,3-oxazolidin-5-ol

(2R,5R)-4-(3-hydroxypropyl)-2-pentadecyl-1,3-oxazolidin-5-ol (PubChem CID 71286576) has the molecular formula C21H43NO3 and a molecular weight of 357.58 g/mol. Its IUPAC name is (2R,5R)-4-(3-hydroxypropyl)-2-pentadecyl-1,3-oxazolidin-5-ol.

Molecular Properties

Compound Name(2R,5R)-4-(3-hydroxypropyl)-2-pentadecyl-1,3-oxazolidin-5-ol
PubChem CID71286576
Molecular FormulaC21H43NO3
Molecular Weight357.58 g/mol
Exact Mass357.32
IUPAC Name(2R,5R)-4-(3-hydroxypropyl)-2-pentadecyl-1,3-oxazolidin-5-ol
SMILESCCCCCCCCCCCCCCC[C@@H]1NC(CCCO)[C@H](O)O1
InChIInChI=1S/C21H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-22-19(16-15-18-23)21(24)25-20/h19-24H,2-18H2,1H3/t19?,20-,21-/m1/s1
InChIKeyVCKIEWNCQPCYNO-RWLBOTFQSA-N
XLogP4.87
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.58
LogP ≤ 54.87
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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Related Compounds

8-[(2R,3R)-3-octylaziridin-2-yl]octan-1-ol
CID 98525976
3-(3-pentyloxiran-2-yl)propan-1-ol
CID 18506419
4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol
CID 170849392
9-(3-heptyloxiran-2-yl)nonan-1-ol
CID 102117929
(2S,3S,4S,5S)-2-(hydroxymethyl)-5-undecylpyrrolidine-3,4-diol
CID 53316565
ethane-1,2-diol;nonan-1-ol
CID 174845744
(2R,3S,4R,5R)-5-hexylpyrrolidine-2,3,4-triol
CID 52939397
(3R)-3-tetradecyloxaziridine
CID 146036017
5-(3-ethylaziridin-2-yl)pentan-1-ol
CID 166798358
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-4-(3-hydroxypropyl)-2-pentadecyl-1,3-oxazolidin-5-ol?
The IUPAC name of (2R,5R)-4-(3-hydroxypropyl)-2-pentadecyl-1,3-oxazolidin-5-ol (CID 71286576) is (2R,5R)-4-(3-hydroxypropyl)-2-pentadecyl-1,3-oxazolidin-5-ol.
What is the SMILES notation for (2R,5R)-4-(3-hydroxypropyl)-2-pentadecyl-1,3-oxazolidin-5-ol?
The canonical SMILES for (2R,5R)-4-(3-hydroxypropyl)-2-pentadecyl-1,3-oxazolidin-5-ol is CCCCCCCCCCCCCCC[C@@H]1NC(CCCO)[C@H](O)O1.
What is the InChIKey of (2R,5R)-4-(3-hydroxypropyl)-2-pentadecyl-1,3-oxazolidin-5-ol?
The InChIKey is VCKIEWNCQPCYNO-RWLBOTFQSA-N. The full InChI is InChI=1S/C21H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-22-19(16-15-18-23)21(24)25-20/h19-24H,2-18H2,1H3/t19?,20-,21-/m1/s1.
What are the key properties of (2R,5R)-4-(3-hydroxypropyl)-2-pentadecyl-1,3-oxazolidin-5-ol?
(2R,5R)-4-(3-hydroxypropyl)-2-pentadecyl-1,3-oxazolidin-5-ol has a molecular weight of 357.58 g/mol, XLogP of 4.87, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-4-(3-hydroxypropyl)-2-pentadecyl-1,3-oxazolidin-5-ol is sourced from PubChem (CID 71286576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).