3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-4-yl]propanoic acid

C11H12N2O3S — CID 103485219

IUPAC3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-4-yl]propanoic acid
SMILESCc1noc(C)c1-c1nc(CCC(=O)O)cs1
InChIInChI=1S/C11H12N2O3S/c1-6-10(7(2)16-13-6)11-12-8(5-17-11)3-4-9(14)15/h5H,3-4H2,1-2H3,(H,14,15)
InChIKeyKLIULBCKDVAOHD-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.43
Rot. Bonds4

About 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-4-yl]propanoic acid

3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-4-yl]propanoic acid (PubChem CID 103485219) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-4-yl]propanoic acid
PubChem CID103485219
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-4-yl]propanoic acid
SMILESCc1noc(C)c1-c1nc(CCC(=O)O)cs1
InChIInChI=1S/C11H12N2O3S/c1-6-10(7(2)16-13-6)11-12-8(5-17-11)3-4-9(14)15/h5H,3-4H2,1-2H3,(H,14,15)
InChIKeyKLIULBCKDVAOHD-UHFFFAOYSA-N
XLogP2.43
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-4-yl]propanoic acid (CID 103485219) is 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-4-yl]propanoic acid is Cc1noc(C)c1-c1nc(CCC(=O)O)cs1.
What is the InChIKey of 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is KLIULBCKDVAOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-6-10(7(2)16-13-6)11-12-8(5-17-11)3-4-9(14)15/h5H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-4-yl]propanoic acid?
3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 252.29 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 103485219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).