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

C19H37NO2 — CID 57234797

IUPAC(4S,5R)-4-methyl-5-pentadecyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCCC[C@H]1OC(=O)N[C@H]1C
InChIInChI=1S/C19H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17(2)20-19(21)22-18/h17-18H,3-16H2,1-2H3,(H,20,21)/t17-,18+/m0/s1
InChIKeyYGFQERDVWZDGKR-ZWKOTPCHSA-N
MW311.51 g/mol
LogP5.96
Rot. Bonds14

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

(4S,5R)-4-methyl-5-pentadecyl-1,3-oxazolidin-2-one (PubChem CID 57234797) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is (4S,5R)-4-methyl-5-pentadecyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-methyl-5-pentadecyl-1,3-oxazolidin-2-one
PubChem CID57234797
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Name(4S,5R)-4-methyl-5-pentadecyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCCCC[C@H]1OC(=O)N[C@H]1C
InChIInChI=1S/C19H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17(2)20-19(21)22-18/h17-18H,3-16H2,1-2H3,(H,20,21)/t17-,18+/m0/s1
InChIKeyYGFQERDVWZDGKR-ZWKOTPCHSA-N
XLogP5.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 55.96
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,5R)-4-methyl-5-pentadecyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-methyl-5-pentadecyl-1,3-oxazolidin-2-one (CID 57234797) is (4S,5R)-4-methyl-5-pentadecyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-methyl-5-pentadecyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-methyl-5-pentadecyl-1,3-oxazolidin-2-one is CCCCCCCCCCCCCCC[C@H]1OC(=O)N[C@H]1C.
What is the InChIKey of (4S,5R)-4-methyl-5-pentadecyl-1,3-oxazolidin-2-one?
The InChIKey is YGFQERDVWZDGKR-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17(2)20-19(21)22-18/h17-18H,3-16H2,1-2H3,(H,20,21)/t17-,18+/m0/s1.
What are the key properties of (4S,5R)-4-methyl-5-pentadecyl-1,3-oxazolidin-2-one?
(4S,5R)-4-methyl-5-pentadecyl-1,3-oxazolidin-2-one has a molecular weight of 311.51 g/mol, XLogP of 5.96, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-methyl-5-pentadecyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 57234797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).