methyl 2-(1,2-oxazol-3-yl)acetate

C6H7NO3 — CID 54530476

IUPACmethyl 2-(1,2-oxazol-3-yl)acetate
SMILESCOC(=O)Cc1ccon1
InChIInChI=1S/C6H7NO3/c1-9-6(8)4-5-2-3-10-7-5/h2-3H,4H2,1H3
InChIKeyYWEBQYUNWUOOOB-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.39
Rot. Bonds2

About methyl 2-(1,2-oxazol-3-yl)acetate

methyl 2-(1,2-oxazol-3-yl)acetate (PubChem CID 54530476) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is methyl 2-(1,2-oxazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1,2-oxazol-3-yl)acetate
PubChem CID54530476
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Namemethyl 2-(1,2-oxazol-3-yl)acetate
SMILESCOC(=O)Cc1ccon1
InChIInChI=1S/C6H7NO3/c1-9-6(8)4-5-2-3-10-7-5/h2-3H,4H2,1H3
InChIKeyYWEBQYUNWUOOOB-UHFFFAOYSA-N
XLogP0.39
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,2-oxazol-3-yl)acetate?
The IUPAC name of methyl 2-(1,2-oxazol-3-yl)acetate (CID 54530476) is methyl 2-(1,2-oxazol-3-yl)acetate.
What is the SMILES notation for methyl 2-(1,2-oxazol-3-yl)acetate?
The canonical SMILES for methyl 2-(1,2-oxazol-3-yl)acetate is COC(=O)Cc1ccon1.
What is the InChIKey of methyl 2-(1,2-oxazol-3-yl)acetate?
The InChIKey is YWEBQYUNWUOOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-9-6(8)4-5-2-3-10-7-5/h2-3H,4H2,1H3.
What are the key properties of methyl 2-(1,2-oxazol-3-yl)acetate?
methyl 2-(1,2-oxazol-3-yl)acetate has a molecular weight of 141.13 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,2-oxazol-3-yl)acetate is sourced from PubChem (CID 54530476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).