1,2-oxazol-3-ylmethyl formate

C5H5NO3 — CID 54275024

IUPAC1,2-oxazol-3-ylmethyl formate
SMILESO=COCc1ccon1
InChIInChI=1S/C5H5NO3/c7-4-8-3-5-1-2-9-6-5/h1-2,4H,3H2
InChIKeyAKXHOSVHEHLHGM-UHFFFAOYSA-N
MW127.10 g/mol
LogP0.35
Rot. Bonds3

About 1,2-oxazol-3-ylmethyl formate

1,2-oxazol-3-ylmethyl formate (PubChem CID 54275024) has the molecular formula C5H5NO3 and a molecular weight of 127.10 g/mol. Its IUPAC name is 1,2-oxazol-3-ylmethyl formate.

Molecular Properties

Compound Name1,2-oxazol-3-ylmethyl formate
PubChem CID54275024
Molecular FormulaC5H5NO3
Molecular Weight127.10 g/mol
Exact Mass127.03
IUPAC Name1,2-oxazol-3-ylmethyl formate
SMILESO=COCc1ccon1
InChIInChI=1S/C5H5NO3/c7-4-8-3-5-1-2-9-6-5/h1-2,4H,3H2
InChIKeyAKXHOSVHEHLHGM-UHFFFAOYSA-N
XLogP0.35
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-3-ylmethyl formate?
The IUPAC name of 1,2-oxazol-3-ylmethyl formate (CID 54275024) is 1,2-oxazol-3-ylmethyl formate.
What is the SMILES notation for 1,2-oxazol-3-ylmethyl formate?
The canonical SMILES for 1,2-oxazol-3-ylmethyl formate is O=COCc1ccon1.
What is the InChIKey of 1,2-oxazol-3-ylmethyl formate?
The InChIKey is AKXHOSVHEHLHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3/c7-4-8-3-5-1-2-9-6-5/h1-2,4H,3H2.
What are the key properties of 1,2-oxazol-3-ylmethyl formate?
1,2-oxazol-3-ylmethyl formate has a molecular weight of 127.10 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazol-3-ylmethyl formate is sourced from PubChem (CID 54275024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).