3-(2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)propanoic acid

C11H11NO3S — CID 82129683

IUPAC3-(2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)propanoic acid
SMILESCc1nc(-c2cccs2)c(CCC(=O)O)o1
InChIInChI=1S/C11H11NO3S/c1-7-12-11(9-3-2-6-16-9)8(15-7)4-5-10(13)14/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyRSTGKHVWGYALIV-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.73
Rot. Bonds4

About 3-(2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)propanoic acid

3-(2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)propanoic acid (PubChem CID 82129683) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-(2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)propanoic acid
PubChem CID82129683
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name3-(2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)propanoic acid
SMILESCc1nc(-c2cccs2)c(CCC(=O)O)o1
InChIInChI=1S/C11H11NO3S/c1-7-12-11(9-3-2-6-16-9)8(15-7)4-5-10(13)14/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyRSTGKHVWGYALIV-UHFFFAOYSA-N
XLogP2.73
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)propanoic acid?
The IUPAC name of 3-(2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)propanoic acid (CID 82129683) is 3-(2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)propanoic acid?
The canonical SMILES for 3-(2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)propanoic acid is Cc1nc(-c2cccs2)c(CCC(=O)O)o1.
What is the InChIKey of 3-(2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)propanoic acid?
The InChIKey is RSTGKHVWGYALIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-7-12-11(9-3-2-6-16-9)8(15-7)4-5-10(13)14/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of 3-(2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)propanoic acid?
3-(2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)propanoic acid has a molecular weight of 237.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)propanoic acid is sourced from PubChem (CID 82129683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).