3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid

C10H9NO3S — CID 82287085

IUPAC3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid
SMILESO=C(O)CCc1coc(-c2cccs2)n1
InChIInChI=1S/C10H9NO3S/c12-9(13)4-3-7-6-14-10(11-7)8-2-1-5-15-8/h1-2,5-6H,3-4H2,(H,12,13)
InChIKeyZZPMBJPKDMTFJQ-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.42
Rot. Bonds4

About 3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid

3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid (PubChem CID 82287085) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid
PubChem CID82287085
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid
SMILESO=C(O)CCc1coc(-c2cccs2)n1
InChIInChI=1S/C10H9NO3S/c12-9(13)4-3-7-6-14-10(11-7)8-2-1-5-15-8/h1-2,5-6H,3-4H2,(H,12,13)
InChIKeyZZPMBJPKDMTFJQ-UHFFFAOYSA-N
XLogP2.42
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]butanoic acid
CID 55006274
4-(chloromethyl)-2-thiophen-2-yl-1,3-oxazole
CID 2529531
3-[2-methylpropyl-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119190564
(2R)-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119244415
4-(2-phenylethylsulfonylmethyl)-2-thiophen-2-yl-1,3-oxazole
CID 51333896
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid
CID 43214269
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 119698090
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119698089
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetonitrile
CID 26695420
2-thiophen-2-yl-4-[[(S)-thiophen-2-ylsulfinyl]methyl]-1,3-oxazole
CID 97236392
2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684356

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid?
The IUPAC name of 3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid (CID 82287085) is 3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid?
The canonical SMILES for 3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid is O=C(O)CCc1coc(-c2cccs2)n1.
What is the InChIKey of 3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid?
The InChIKey is ZZPMBJPKDMTFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c12-9(13)4-3-7-6-14-10(11-7)8-2-1-5-15-8/h1-2,5-6H,3-4H2,(H,12,13).
What are the key properties of 3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid?
3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid has a molecular weight of 223.25 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid is sourced from PubChem (CID 82287085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).