4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid

C14H14N2O5S — CID 119216735

IUPAC4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C14H14N2O5S/c17-12(16-3-4-20-8-10(16)14(18)19)6-9-7-21-13(15-9)11-2-1-5-22-11/h1-2,5,7,10H,3-4,6,8H2,(H,18,19)
InChIKeyVBXAHLRKFRSUKU-UHFFFAOYSA-N
MW322.34 g/mol
LogP1.26
Rot. Bonds4

About 4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid

4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid (PubChem CID 119216735) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is 4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid
PubChem CID119216735
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC Name4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)Cc1coc(-c2cccs2)n1
InChIInChI=1S/C14H14N2O5S/c17-12(16-3-4-20-8-10(16)14(18)19)6-9-7-21-13(15-9)11-2-1-5-22-11/h1-2,5,7,10H,3-4,6,8H2,(H,18,19)
InChIKeyVBXAHLRKFRSUKU-UHFFFAOYSA-N
XLogP1.26
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid
CID 119216474
(3R)-4-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 125119510
(2S,3aR,7aR)-1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125132886
2-[(2S)-4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholin-2-yl]acetic acid
CID 124702570
1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119167729
(2S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119910746
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 119596982
(3R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 125133146
1-(3-aminopiperidin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 119377508
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 119635255
2-morpholin-4-yl-1-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 29484382
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 119661796

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid (CID 119216735) is 4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)Cc1coc(-c2cccs2)n1.
What is the InChIKey of 4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid?
The InChIKey is VBXAHLRKFRSUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c17-12(16-3-4-20-8-10(16)14(18)19)6-9-7-21-13(15-9)11-2-1-5-22-11/h1-2,5,7,10H,3-4,6,8H2,(H,18,19).
What are the key properties of 4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid?
4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid has a molecular weight of 322.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119216735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).