(5S)-5-hexyl-3-thiophen-2-yl-1,3-oxazolidin-2-one

C13H19NO2S — CID 124582742

IUPAC(5S)-5-hexyl-3-thiophen-2-yl-1,3-oxazolidin-2-one
SMILESCCCCCC[C@H]1CN(c2cccs2)C(=O)O1
InChIInChI=1S/C13H19NO2S/c1-2-3-4-5-7-11-10-14(13(15)16-11)12-8-6-9-17-12/h6,8-9,11H,2-5,7,10H2,1H3/t11-/m0/s1
InChIKeyLCRYNVVGKIQRJP-NSHDSACASA-N
MW253.37 g/mol
LogP4.04
Rot. Bonds6

About (5S)-5-hexyl-3-thiophen-2-yl-1,3-oxazolidin-2-one

(5S)-5-hexyl-3-thiophen-2-yl-1,3-oxazolidin-2-one (PubChem CID 124582742) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is (5S)-5-hexyl-3-thiophen-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-hexyl-3-thiophen-2-yl-1,3-oxazolidin-2-one
PubChem CID124582742
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name(5S)-5-hexyl-3-thiophen-2-yl-1,3-oxazolidin-2-one
SMILESCCCCCC[C@H]1CN(c2cccs2)C(=O)O1
InChIInChI=1S/C13H19NO2S/c1-2-3-4-5-7-11-10-14(13(15)16-11)12-8-6-9-17-12/h6,8-9,11H,2-5,7,10H2,1H3/t11-/m0/s1
InChIKeyLCRYNVVGKIQRJP-NSHDSACASA-N
XLogP4.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-dodecyl-3-phenyl-1,3-oxazolidin-2-one
CID 23270939
(5R)-5-hexyl-3-thiophen-3-yl-1,3-oxazolidin-2-one
CID 124582743
3-(2-aminophenyl)-5-hexyl-1,3-oxazolidin-2-one
CID 46887116
5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 22368592
3-(4-cyclopropylphenyl)-5-hexyl-1,3-oxazolidin-2-one
CID 59580221
3-(4-ethynyl-3-fluorophenyl)-5-hexyl-1,3-oxazolidin-2-one
CID 89014870
2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)benzonitrile
CID 59580233
3-bromo-N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 110476727
2,5-dioctyl-1-thiophen-2-yl-2,5-dihydropyrrole
CID 146309780
N-[(2-oxo-3-thiophen-2-yl-1,3-oxazolidin-5-yl)methyl]oxolane-2-carboxamide
CID 84581229
5-hexyl-3-quinazolin-7-yl-1,3-oxazolidin-2-one
CID 59580231
2-[2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]acetonitrile
CID 59580299

Frequently Asked Questions

What is the IUPAC name of (5S)-5-hexyl-3-thiophen-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-hexyl-3-thiophen-2-yl-1,3-oxazolidin-2-one (CID 124582742) is (5S)-5-hexyl-3-thiophen-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-hexyl-3-thiophen-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-hexyl-3-thiophen-2-yl-1,3-oxazolidin-2-one is CCCCCC[C@H]1CN(c2cccs2)C(=O)O1.
What is the InChIKey of (5S)-5-hexyl-3-thiophen-2-yl-1,3-oxazolidin-2-one?
The InChIKey is LCRYNVVGKIQRJP-NSHDSACASA-N. The full InChI is InChI=1S/C13H19NO2S/c1-2-3-4-5-7-11-10-14(13(15)16-11)12-8-6-9-17-12/h6,8-9,11H,2-5,7,10H2,1H3/t11-/m0/s1.
What are the key properties of (5S)-5-hexyl-3-thiophen-2-yl-1,3-oxazolidin-2-one?
(5S)-5-hexyl-3-thiophen-2-yl-1,3-oxazolidin-2-one has a molecular weight of 253.37 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-hexyl-3-thiophen-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 124582742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).