(4S,5S)-4-[(1R)-1,2-dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one

C18H35NO4 — CID 91434309

IUPAC(4S,5S)-4-[(1R)-1,2-dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCC[C@@H]1OC(=O)N[C@H]1[C@@H](O)CO
InChIInChI=1S/C18H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-17(15(21)14-20)19-18(22)23-16/h15-17,20-21H,2-14H2,1H3,(H,19,22)/t15-,16-,17-/m0/s1
InChIKeyDKGPVCUKICMMJK-ULQDDVLXSA-N
MW329.48 g/mol
LogP3.52
Rot. Bonds14

About (4S,5S)-4-[(1R)-1,2-dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one

(4S,5S)-4-[(1R)-1,2-dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one (PubChem CID 91434309) has the molecular formula C18H35NO4 and a molecular weight of 329.48 g/mol. Its IUPAC name is (4S,5S)-4-[(1R)-1,2-dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-[(1R)-1,2-dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one
PubChem CID91434309
Molecular FormulaC18H35NO4
Molecular Weight329.48 g/mol
Exact Mass329.26
IUPAC Name(4S,5S)-4-[(1R)-1,2-dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCC[C@@H]1OC(=O)N[C@H]1[C@@H](O)CO
InChIInChI=1S/C18H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-17(15(21)14-20)19-18(22)23-16/h15-17,20-21H,2-14H2,1H3,(H,19,22)/t15-,16-,17-/m0/s1
InChIKeyDKGPVCUKICMMJK-ULQDDVLXSA-N
XLogP3.52
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 53.52
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,5S)-4-[(1R)-1,2-dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-4-[(1R)-1,2-dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one (CID 91434309) is (4S,5S)-4-[(1R)-1,2-dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-4-[(1R)-1,2-dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-4-[(1R)-1,2-dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one is CCCCCCCCCCCCC[C@@H]1OC(=O)N[C@H]1[C@@H](O)CO.
What is the InChIKey of (4S,5S)-4-[(1R)-1,2-dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one?
The InChIKey is DKGPVCUKICMMJK-ULQDDVLXSA-N. The full InChI is InChI=1S/C18H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-17(15(21)14-20)19-18(22)23-16/h15-17,20-21H,2-14H2,1H3,(H,19,22)/t15-,16-,17-/m0/s1.
What are the key properties of (4S,5S)-4-[(1R)-1,2-dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one?
(4S,5S)-4-[(1R)-1,2-dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one has a molecular weight of 329.48 g/mol, XLogP of 3.52, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-[(1R)-1,2-dihydroxyethyl]-5-tridecyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 91434309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).