3-[(2S,3R)-2-(dimethylamino)-3-thiophen-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one

C14H18N2O3S — CID 146166989

IUPAC3-[(2S,3R)-2-(dimethylamino)-3-thiophen-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=C[C@@H](c1cccs1)[C@@H](C(=O)N1CCOC1=O)N(C)C
InChIInChI=1S/C14H18N2O3S/c1-4-10(11-6-5-9-20-11)12(15(2)3)13(17)16-7-8-19-14(16)18/h4-6,9-10,12H,1,7-8H2,2-3H3/t10-,12-/m0/s1
InChIKeyYXJJGBRESZQCPF-JQWIXIFHSA-N
MW294.38 g/mol
LogP1.93
Rot. Bonds5

About 3-[(2S,3R)-2-(dimethylamino)-3-thiophen-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one

3-[(2S,3R)-2-(dimethylamino)-3-thiophen-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 146166989) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-[(2S,3R)-2-(dimethylamino)-3-thiophen-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2S,3R)-2-(dimethylamino)-3-thiophen-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID146166989
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name3-[(2S,3R)-2-(dimethylamino)-3-thiophen-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=C[C@@H](c1cccs1)[C@@H](C(=O)N1CCOC1=O)N(C)C
InChIInChI=1S/C14H18N2O3S/c1-4-10(11-6-5-9-20-11)12(15(2)3)13(17)16-7-8-19-14(16)18/h4-6,9-10,12H,1,7-8H2,2-3H3/t10-,12-/m0/s1
InChIKeyYXJJGBRESZQCPF-JQWIXIFHSA-N
XLogP1.93
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3R)-2-(dimethylamino)-3-thiophen-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2S,3R)-2-(dimethylamino)-3-thiophen-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one (CID 146166989) is 3-[(2S,3R)-2-(dimethylamino)-3-thiophen-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2S,3R)-2-(dimethylamino)-3-thiophen-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2S,3R)-2-(dimethylamino)-3-thiophen-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one is C=C[C@@H](c1cccs1)[C@@H](C(=O)N1CCOC1=O)N(C)C.
What is the InChIKey of 3-[(2S,3R)-2-(dimethylamino)-3-thiophen-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is YXJJGBRESZQCPF-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-4-10(11-6-5-9-20-11)12(15(2)3)13(17)16-7-8-19-14(16)18/h4-6,9-10,12H,1,7-8H2,2-3H3/t10-,12-/m0/s1.
What are the key properties of 3-[(2S,3R)-2-(dimethylamino)-3-thiophen-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one?
3-[(2S,3R)-2-(dimethylamino)-3-thiophen-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 294.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3R)-2-(dimethylamino)-3-thiophen-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 146166989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).