3-methoxy-2H-1,3-oxazole

C4H7NO2 — CID 123142661

IUPAC3-methoxy-2H-1,3-oxazole
SMILESCON1C=COC1
InChIInChI=1S/C4H7NO2/c1-6-5-2-3-7-4-5/h2-3H,4H2,1H3
InChIKeyXDPBRCLPCKFXOL-UHFFFAOYSA-N
MW101.10 g/mol
LogP0.31
Rot. Bonds1

About 3-methoxy-2H-1,3-oxazole

3-methoxy-2H-1,3-oxazole (PubChem CID 123142661) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is 3-methoxy-2H-1,3-oxazole.

Molecular Properties

Compound Name3-methoxy-2H-1,3-oxazole
PubChem CID123142661
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC Name3-methoxy-2H-1,3-oxazole
SMILESCON1C=COC1
InChIInChI=1S/C4H7NO2/c1-6-5-2-3-7-4-5/h2-3H,4H2,1H3
InChIKeyXDPBRCLPCKFXOL-UHFFFAOYSA-N
XLogP0.31
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2H-1,3-oxazole?
The IUPAC name of 3-methoxy-2H-1,3-oxazole (CID 123142661) is 3-methoxy-2H-1,3-oxazole.
What is the SMILES notation for 3-methoxy-2H-1,3-oxazole?
The canonical SMILES for 3-methoxy-2H-1,3-oxazole is CON1C=COC1.
What is the InChIKey of 3-methoxy-2H-1,3-oxazole?
The InChIKey is XDPBRCLPCKFXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c1-6-5-2-3-7-4-5/h2-3H,4H2,1H3.
What are the key properties of 3-methoxy-2H-1,3-oxazole?
3-methoxy-2H-1,3-oxazole has a molecular weight of 101.10 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2H-1,3-oxazole is sourced from PubChem (CID 123142661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).