(4S,5S)-4-methyl-5-undecyl-1,3-oxazolidin-2-one

C15H29NO2 — CID 90683234

IUPAC(4S,5S)-4-methyl-5-undecyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCC[C@@H]1OC(=O)N[C@H]1C
InChIInChI=1S/C15H29NO2/c1-3-4-5-6-7-8-9-10-11-12-14-13(2)16-15(17)18-14/h13-14H,3-12H2,1-2H3,(H,16,17)/t13-,14-/m0/s1
InChIKeyDNOOUEUMNMSIFA-KBPBESRZSA-N
MW255.40 g/mol
LogP4.40
Rot. Bonds10

About (4S,5S)-4-methyl-5-undecyl-1,3-oxazolidin-2-one

(4S,5S)-4-methyl-5-undecyl-1,3-oxazolidin-2-one (PubChem CID 90683234) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (4S,5S)-4-methyl-5-undecyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-methyl-5-undecyl-1,3-oxazolidin-2-one
PubChem CID90683234
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(4S,5S)-4-methyl-5-undecyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCC[C@@H]1OC(=O)N[C@H]1C
InChIInChI=1S/C15H29NO2/c1-3-4-5-6-7-8-9-10-11-12-14-13(2)16-15(17)18-14/h13-14H,3-12H2,1-2H3,(H,16,17)/t13-,14-/m0/s1
InChIKeyDNOOUEUMNMSIFA-KBPBESRZSA-N
XLogP4.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-5-undecyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-4-methyl-5-undecyl-1,3-oxazolidin-2-one (CID 90683234) is (4S,5S)-4-methyl-5-undecyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-4-methyl-5-undecyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-4-methyl-5-undecyl-1,3-oxazolidin-2-one is CCCCCCCCCCC[C@@H]1OC(=O)N[C@H]1C.
What is the InChIKey of (4S,5S)-4-methyl-5-undecyl-1,3-oxazolidin-2-one?
The InChIKey is DNOOUEUMNMSIFA-KBPBESRZSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-4-5-6-7-8-9-10-11-12-14-13(2)16-15(17)18-14/h13-14H,3-12H2,1-2H3,(H,16,17)/t13-,14-/m0/s1.
What are the key properties of (4S,5S)-4-methyl-5-undecyl-1,3-oxazolidin-2-one?
(4S,5S)-4-methyl-5-undecyl-1,3-oxazolidin-2-one has a molecular weight of 255.40 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-methyl-5-undecyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 90683234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).