3-methoxy-1,3-oxazol-2-one

C4H5NO3 — CID 122591680

IUPAC3-methoxy-1,3-oxazol-2-one
SMILESCOn1ccoc1=O
InChIInChI=1S/C4H5NO3/c1-7-5-2-3-8-4(5)6/h2-3H,1H3
InChIKeyZWLIPMVTPXKSHY-UHFFFAOYSA-N
MW115.09 g/mol
LogP-0.50
Rot. Bonds1

About 3-methoxy-1,3-oxazol-2-one

3-methoxy-1,3-oxazol-2-one (PubChem CID 122591680) has the molecular formula C4H5NO3 and a molecular weight of 115.09 g/mol. Its IUPAC name is 3-methoxy-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-methoxy-1,3-oxazol-2-one
PubChem CID122591680
Molecular FormulaC4H5NO3
Molecular Weight115.09 g/mol
Exact Mass115.03
IUPAC Name3-methoxy-1,3-oxazol-2-one
SMILESCOn1ccoc1=O
InChIInChI=1S/C4H5NO3/c1-7-5-2-3-8-4(5)6/h2-3H,1H3
InChIKeyZWLIPMVTPXKSHY-UHFFFAOYSA-N
XLogP-0.50
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1,3-oxazol-2-one?
The IUPAC name of 3-methoxy-1,3-oxazol-2-one (CID 122591680) is 3-methoxy-1,3-oxazol-2-one.
What is the SMILES notation for 3-methoxy-1,3-oxazol-2-one?
The canonical SMILES for 3-methoxy-1,3-oxazol-2-one is COn1ccoc1=O.
What is the InChIKey of 3-methoxy-1,3-oxazol-2-one?
The InChIKey is ZWLIPMVTPXKSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3/c1-7-5-2-3-8-4(5)6/h2-3H,1H3.
What are the key properties of 3-methoxy-1,3-oxazol-2-one?
3-methoxy-1,3-oxazol-2-one has a molecular weight of 115.09 g/mol, XLogP of -0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1,3-oxazol-2-one is sourced from PubChem (CID 122591680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).