2-[(5-methyl-1,3-oxazol-2-yl)methoxy]acetic acid

C7H9NO4 — CID 83814406

IUPAC2-[(5-methyl-1,3-oxazol-2-yl)methoxy]acetic acid
SMILESCc1cnc(COCC(=O)O)o1
InChIInChI=1S/C7H9NO4/c1-5-2-8-6(12-5)3-11-4-7(9)10/h2H,3-4H2,1H3,(H,9,10)
InChIKeyDESNHERLOOJPNP-UHFFFAOYSA-N
MW171.15 g/mol
LogP0.58
Rot. Bonds4

About 2-[(5-methyl-1,3-oxazol-2-yl)methoxy]acetic acid

2-[(5-methyl-1,3-oxazol-2-yl)methoxy]acetic acid (PubChem CID 83814406) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is 2-[(5-methyl-1,3-oxazol-2-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,3-oxazol-2-yl)methoxy]acetic acid
PubChem CID83814406
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name2-[(5-methyl-1,3-oxazol-2-yl)methoxy]acetic acid
SMILESCc1cnc(COCC(=O)O)o1
InChIInChI=1S/C7H9NO4/c1-5-2-8-6(12-5)3-11-4-7(9)10/h2H,3-4H2,1H3,(H,9,10)
InChIKeyDESNHERLOOJPNP-UHFFFAOYSA-N
XLogP0.58
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-methyl-1,3-oxazol-2-yl)methoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3-oxazol-2-yl)methoxy]acetic acid?
The IUPAC name of 2-[(5-methyl-1,3-oxazol-2-yl)methoxy]acetic acid (CID 83814406) is 2-[(5-methyl-1,3-oxazol-2-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(5-methyl-1,3-oxazol-2-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(5-methyl-1,3-oxazol-2-yl)methoxy]acetic acid is Cc1cnc(COCC(=O)O)o1.
What is the InChIKey of 2-[(5-methyl-1,3-oxazol-2-yl)methoxy]acetic acid?
The InChIKey is DESNHERLOOJPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-5-2-8-6(12-5)3-11-4-7(9)10/h2H,3-4H2,1H3,(H,9,10).
What are the key properties of 2-[(5-methyl-1,3-oxazol-2-yl)methoxy]acetic acid?
2-[(5-methyl-1,3-oxazol-2-yl)methoxy]acetic acid has a molecular weight of 171.15 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3-oxazol-2-yl)methoxy]acetic acid is sourced from PubChem (CID 83814406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).