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

C8H11NO3 — CID 82412945

IUPAC3-(2,4-dimethyl-1,3-oxazol-5-yl)propanoic acid
SMILESCc1nc(C)c(CCC(=O)O)o1
InChIInChI=1S/C8H11NO3/c1-5-7(3-4-8(10)11)12-6(2)9-5/h3-4H2,1-2H3,(H,10,11)
InChIKeyOBVKSFMCPBBROF-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.31
Rot. Bonds3

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

3-(2,4-dimethyl-1,3-oxazol-5-yl)propanoic acid (PubChem CID 82412945) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-oxazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-oxazol-5-yl)propanoic acid
PubChem CID82412945
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name3-(2,4-dimethyl-1,3-oxazol-5-yl)propanoic acid
SMILESCc1nc(C)c(CCC(=O)O)o1
InChIInChI=1S/C8H11NO3/c1-5-7(3-4-8(10)11)12-6(2)9-5/h3-4H2,1-2H3,(H,10,11)
InChIKeyOBVKSFMCPBBROF-UHFFFAOYSA-N
XLogP1.31
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1,3-oxazol-5-yl)propanoic acid?
The IUPAC name of 3-(2,4-dimethyl-1,3-oxazol-5-yl)propanoic acid (CID 82412945) is 3-(2,4-dimethyl-1,3-oxazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-oxazol-5-yl)propanoic acid?
The canonical SMILES for 3-(2,4-dimethyl-1,3-oxazol-5-yl)propanoic acid is Cc1nc(C)c(CCC(=O)O)o1.
What is the InChIKey of 3-(2,4-dimethyl-1,3-oxazol-5-yl)propanoic acid?
The InChIKey is OBVKSFMCPBBROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5-7(3-4-8(10)11)12-6(2)9-5/h3-4H2,1-2H3,(H,10,11).
What are the key properties of 3-(2,4-dimethyl-1,3-oxazol-5-yl)propanoic acid?
3-(2,4-dimethyl-1,3-oxazol-5-yl)propanoic acid has a molecular weight of 169.18 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-1,3-oxazol-5-yl)propanoic acid is sourced from PubChem (CID 82412945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).