(4S)-3-[(3S)-3-hydroxydecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C16H29NO4 — CID 101022515

IUPAC(4S)-3-[(3S)-3-hydroxydecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCCCCC[C@H](O)CC(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C16H29NO4/c1-4-5-6-7-8-9-13(18)10-15(19)17-14(12(2)3)11-21-16(17)20/h12-14,18H,4-11H2,1-3H3/t13-,14+/m0/s1
InChIKeyFEMSZSSHQBXVIM-UONOGXRCSA-N
MW299.41 g/mol
LogP3.10
Rot. Bonds9

About (4S)-3-[(3S)-3-hydroxydecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(3S)-3-hydroxydecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 101022515) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is (4S)-3-[(3S)-3-hydroxydecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3S)-3-hydroxydecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID101022515
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name(4S)-3-[(3S)-3-hydroxydecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCCCCC[C@H](O)CC(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C16H29NO4/c1-4-5-6-7-8-9-13(18)10-15(19)17-14(12(2)3)11-21-16(17)20/h12-14,18H,4-11H2,1-3H3/t13-,14+/m0/s1
InChIKeyFEMSZSSHQBXVIM-UONOGXRCSA-N
XLogP3.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-3-[(2S,3S)-3-Hydroxy-2-methyl-4-methylene-1-oxononyl]-4-(1-methylethyl)-2-oxazolidinone
CID 49846977
(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-4-methylideneoctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49846908
(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-4-methylidenedecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49846978
(4S)-3-[(2S,3S)-3-hydroxy-2-methyl-4-methylideneundecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49846979
(4R)-3-[(2R,3R)-3-hydroxy-2-methyl-4-methylidenenonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49846982
(4S)-3-[(2S,3R)-3-hydroxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 49847057
tert-Butyl (2S)-3-hydroxy-2-isopropyl-5-oxopyrrolidine-1-carboxylate
CID 51342197
(4S)-3-[(3S)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 59907770
(4S)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 59907790
(4R)-3-[(3R)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 70118281
(4R)-3-[(3S)-5-fluoro-3-hydroxypentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 70119899
(4S)-3-[(3R)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10562191

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3S)-3-hydroxydecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3S)-3-hydroxydecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 101022515) is (4S)-3-[(3S)-3-hydroxydecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3S)-3-hydroxydecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3S)-3-hydroxydecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CCCCCCC[C@H](O)CC(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[(3S)-3-hydroxydecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is FEMSZSSHQBXVIM-UONOGXRCSA-N. The full InChI is InChI=1S/C16H29NO4/c1-4-5-6-7-8-9-13(18)10-15(19)17-14(12(2)3)11-21-16(17)20/h12-14,18H,4-11H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of (4S)-3-[(3S)-3-hydroxydecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(3S)-3-hydroxydecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 299.41 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3S)-3-hydroxydecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101022515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).