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

C16H29NO4 — CID 15400986

IUPAC(4S)-3-(3-hydroxydecanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCCCCCC(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-/m1/s1
InChIKeyFEMSZSSHQBXVIM-ARLHGKGLSA-N
MW299.41 g/mol
LogP3.10
Rot. Bonds9

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

(4S)-3-(3-hydroxydecanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 15400986) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is (4S)-3-(3-hydroxydecanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(3-hydroxydecanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID15400986
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name(4S)-3-(3-hydroxydecanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCCCCCC(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-/m1/s1
InChIKeyFEMSZSSHQBXVIM-ARLHGKGLSA-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

3-heptanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22490329
(4R)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139919284
3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoic acid
CID 20779374
(4S)-3-[(3R)-3-hydroxyoctanoyl]-4-[(4-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 102039216
(4S)-4-tert-butyl-3-[(3R)-3-methylnonanoyl]-1,3-oxazolidin-2-one
CID 102237783
tert-butyl (2S)-2-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoate
CID 124638547
tert-butyl (2S)-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoate
CID 124638549
1,5-bis[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-3-(trifluoromethyl)pentane-1,5-dione
CID 102321018
(4S)-3-[(2S)-2-phenylselanylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 23256057
(4S)-3-[(2E,4S,5S,6E)-5-hydroxy-2,4,6-trimethylhexadeca-2,6-dienoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102362560
(4S)-3-hept-6-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11053746
2,2-dimethyl-4-oxo-4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)butanoic acid
CID 57209681

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(3-hydroxydecanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(3-hydroxydecanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 15400986) is (4S)-3-(3-hydroxydecanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(3-hydroxydecanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(3-hydroxydecanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is CCCCCCCC(O)CC(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-(3-hydroxydecanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is FEMSZSSHQBXVIM-ARLHGKGLSA-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-/m1/s1.
What are the key properties of (4S)-3-(3-hydroxydecanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-(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-(3-hydroxydecanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15400986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).