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

C7H9NO3 — CID 2063338

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid
SMILESCc1noc(C)c1CC(=O)O
InChIInChI=1S/C7H9NO3/c1-4-6(3-7(9)10)5(2)11-8-4/h3H2,1-2H3,(H,9,10)
InChIKeyZEONKMXUCHNYRN-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.92
Rot. Bonds2

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid (PubChem CID 2063338) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid
PubChem CID2063338
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid
SMILESCc1noc(C)c1CC(=O)O
InChIInChI=1S/C7H9NO3/c1-4-6(3-7(9)10)5(2)11-8-4/h3H2,1-2H3,(H,9,10)
InChIKeyZEONKMXUCHNYRN-UHFFFAOYSA-N
XLogP0.92
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid (CID 2063338) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid is Cc1noc(C)c1CC(=O)O.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid?
The InChIKey is ZEONKMXUCHNYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-4-6(3-7(9)10)5(2)11-8-4/h3H2,1-2H3,(H,9,10).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid?
2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid has a molecular weight of 155.15 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetic acid is sourced from PubChem (CID 2063338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).