(2S)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]morpholine-2-carboxylic acid

C14H15N3O5S — CID 129467091

IUPAC(2S)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)CCc2nc(-c3ccsc3)no2)CCO1
InChIInChI=1S/C14H15N3O5S/c18-12(17-4-5-21-10(7-17)14(19)20)2-1-11-15-13(16-22-11)9-3-6-23-8-9/h3,6,8,10H,1-2,4-5,7H2,(H,19,20)/t10-/m0/s1
InChIKeyPDSPSJKPVPIZNO-JTQLQIEISA-N
MW337.36 g/mol
LogP1.04
Rot. Bonds5

About (2S)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]morpholine-2-carboxylic acid

(2S)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]morpholine-2-carboxylic acid (PubChem CID 129467091) has the molecular formula C14H15N3O5S and a molecular weight of 337.36 g/mol. Its IUPAC name is (2S)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]morpholine-2-carboxylic acid
PubChem CID129467091
Molecular FormulaC14H15N3O5S
Molecular Weight337.36 g/mol
Exact Mass337.07
IUPAC Name(2S)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)CCc2nc(-c3ccsc3)no2)CCO1
InChIInChI=1S/C14H15N3O5S/c18-12(17-4-5-21-10(7-17)14(19)20)2-1-11-15-13(16-22-11)9-3-6-23-8-9/h3,6,8,10H,1-2,4-5,7H2,(H,19,20)/t10-/m0/s1
InChIKeyPDSPSJKPVPIZNO-JTQLQIEISA-N
XLogP1.04
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]morpholine-2-carboxylic acid with MolForge

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Related Compounds

1-(2-ethylmorpholin-4-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 51077010
1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 119354860
(3S)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxylic acid
CID 119136450
4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]morpholine-2-carboxylic acid
CID 119239254
1-(3-hydroxypiperidin-1-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 110882018
(2S)-4-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]morpholine-2-carboxylic acid
CID 129469084
4-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]morpholine-2-carboxylic acid
CID 119239171
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 31107443
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 31107442
1-thiomorpholin-4-yl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 56813515
(2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid
CID 124700575
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 55970802

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]morpholine-2-carboxylic acid (CID 129467091) is (2S)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]morpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(C(=O)CCc2nc(-c3ccsc3)no2)CCO1.
What is the InChIKey of (2S)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]morpholine-2-carboxylic acid?
The InChIKey is PDSPSJKPVPIZNO-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15N3O5S/c18-12(17-4-5-21-10(7-17)14(19)20)2-1-11-15-13(16-22-11)9-3-6-23-8-9/h3,6,8,10H,1-2,4-5,7H2,(H,19,20)/t10-/m0/s1.
What are the key properties of (2S)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]morpholine-2-carboxylic acid?
(2S)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]morpholine-2-carboxylic acid has a molecular weight of 337.36 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 129467091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).