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

C6H7NO4 — CID 4962137

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetic acid
SMILESCc1cc(OCC(=O)O)no1
InChIInChI=1S/C6H7NO4/c1-4-2-5(7-11-4)10-3-6(8)9/h2H,3H2,1H3,(H,8,9)
InChIKeyGAMRWZRZSQLJTA-UHFFFAOYSA-N
MW157.12 g/mol
LogP0.45
Rot. Bonds3

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

2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetic acid (PubChem CID 4962137) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetic acid
PubChem CID4962137
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetic acid
SMILESCc1cc(OCC(=O)O)no1
InChIInChI=1S/C6H7NO4/c1-4-2-5(7-11-4)10-3-6(8)9/h2H,3H2,1H3,(H,8,9)
InChIKeyGAMRWZRZSQLJTA-UHFFFAOYSA-N
XLogP0.45
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methoxy-5-isoxazolemethanol
CID 10678258
3-Ethoxy-1,2-oxazole-5-carboxylic acid
CID 15007418
5-Methyl-3-(prop-2-yn-1-yloxy)isoxazole
CID 85975236
Methyl 3-prop-2-ynoxy-1,2-oxazole-5-carboxylate
CID 140030818
Methyl 3-(allyloxy)isoxazole-5-carboxylate
CID 639217
3-Methoxy-5-methylisoxazole
CID 11768539
3-But-2-ynoxy-5-methyl-1,2-oxazole
CID 90940069
3-(2-Fluoroethoxy)isoxazole-5-carboxylic acid
CID 45091216
Methyl 3-(3-fluoro-2-hydroxypropoxy)isoxazole-5-carboxylate
CID 67778586
5-Methyl-3-(2,2,2-trifluoroethoxy)-1,2-oxazole
CID 90278805
[3-(3-Fluoropropoxy)-1,2-oxazol-5-yl]methanol
CID 140243950
[3-(2-Fluoroethoxy)-1,2-oxazol-5-yl]methanol
CID 140244012

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetic acid?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetic acid (CID 4962137) is 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetic acid?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetic acid is Cc1cc(OCC(=O)O)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetic acid?
The InChIKey is GAMRWZRZSQLJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4/c1-4-2-5(7-11-4)10-3-6(8)9/h2H,3H2,1H3,(H,8,9).
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetic acid?
2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetic acid has a molecular weight of 157.12 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetic acid is sourced from PubChem (CID 4962137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).