2-(1,2-oxazol-3-yl)acetic acid

C5H5NO3 — CID 13042083

IUPAC2-(1,2-oxazol-3-yl)acetic acid
SMILESO=C(O)Cc1ccon1
InChIInChI=1S/C5H5NO3/c7-5(8)3-4-1-2-9-6-4/h1-2H,3H2,(H,7,8)
InChIKeyQSMYAUJWSXKKDS-UHFFFAOYSA-N
MW127.10 g/mol
LogP0.30
Rot. Bonds2

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

2-(1,2-oxazol-3-yl)acetic acid (PubChem CID 13042083) has the molecular formula C5H5NO3 and a molecular weight of 127.10 g/mol. Its IUPAC name is 2-(1,2-oxazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1,2-oxazol-3-yl)acetic acid
PubChem CID13042083
Molecular FormulaC5H5NO3
Molecular Weight127.10 g/mol
Exact Mass127.03
IUPAC Name2-(1,2-oxazol-3-yl)acetic acid
SMILESO=C(O)Cc1ccon1
InChIInChI=1S/C5H5NO3/c7-5(8)3-4-1-2-9-6-4/h1-2H,3H2,(H,7,8)
InChIKeyQSMYAUJWSXKKDS-UHFFFAOYSA-N
XLogP0.30
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-3-yl)acetic acid?
The IUPAC name of 2-(1,2-oxazol-3-yl)acetic acid (CID 13042083) is 2-(1,2-oxazol-3-yl)acetic acid.
What is the SMILES notation for 2-(1,2-oxazol-3-yl)acetic acid?
The canonical SMILES for 2-(1,2-oxazol-3-yl)acetic acid is O=C(O)Cc1ccon1.
What is the InChIKey of 2-(1,2-oxazol-3-yl)acetic acid?
The InChIKey is QSMYAUJWSXKKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3/c7-5(8)3-4-1-2-9-6-4/h1-2H,3H2,(H,7,8).
What are the key properties of 2-(1,2-oxazol-3-yl)acetic acid?
2-(1,2-oxazol-3-yl)acetic acid has a molecular weight of 127.10 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-3-yl)acetic acid is sourced from PubChem (CID 13042083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).