1,2-oxazol-3-ylmethyl acetate

C6H7NO3 — CID 59090917

IUPAC1,2-oxazol-3-ylmethyl acetate
SMILESCC(=O)OCc1ccon1
InChIInChI=1S/C6H7NO3/c1-5(8)9-4-6-2-3-10-7-6/h2-3H,4H2,1H3
InChIKeyMWYUCJQPRRZPHX-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.74
Rot. Bonds2

About 1,2-oxazol-3-ylmethyl acetate

1,2-oxazol-3-ylmethyl acetate (PubChem CID 59090917) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 1,2-oxazol-3-ylmethyl acetate.

Molecular Properties

Compound Name1,2-oxazol-3-ylmethyl acetate
PubChem CID59090917
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name1,2-oxazol-3-ylmethyl acetate
SMILESCC(=O)OCc1ccon1
InChIInChI=1S/C6H7NO3/c1-5(8)9-4-6-2-3-10-7-6/h2-3H,4H2,1H3
InChIKeyMWYUCJQPRRZPHX-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazol-3-ylmethyl acetate?
The IUPAC name of 1,2-oxazol-3-ylmethyl acetate (CID 59090917) is 1,2-oxazol-3-ylmethyl acetate.
What is the SMILES notation for 1,2-oxazol-3-ylmethyl acetate?
The canonical SMILES for 1,2-oxazol-3-ylmethyl acetate is CC(=O)OCc1ccon1.
What is the InChIKey of 1,2-oxazol-3-ylmethyl acetate?
The InChIKey is MWYUCJQPRRZPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-5(8)9-4-6-2-3-10-7-6/h2-3H,4H2,1H3.
What are the key properties of 1,2-oxazol-3-ylmethyl acetate?
1,2-oxazol-3-ylmethyl acetate has a molecular weight of 141.13 g/mol, XLogP of 0.74, 2 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 acetate is sourced from PubChem (CID 59090917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).