(2-phenyl-1,3-oxazol-5-yl) acetate

C11H9NO3 — CID 134908005

IUPAC(2-phenyl-1,3-oxazol-5-yl) acetate
SMILESCC(=O)Oc1cnc(-c2ccccc2)o1
InChIInChI=1S/C11H9NO3/c1-8(13)14-10-7-12-11(15-10)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyXXXOIVKXGMJJLY-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.27
Rot. Bonds2

About (2-phenyl-1,3-oxazol-5-yl) acetate

(2-phenyl-1,3-oxazol-5-yl) acetate (PubChem CID 134908005) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is (2-phenyl-1,3-oxazol-5-yl) acetate.

Molecular Properties

Compound Name(2-phenyl-1,3-oxazol-5-yl) acetate
PubChem CID134908005
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name(2-phenyl-1,3-oxazol-5-yl) acetate
SMILESCC(=O)Oc1cnc(-c2ccccc2)o1
InChIInChI=1S/C11H9NO3/c1-8(13)14-10-7-12-11(15-10)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyXXXOIVKXGMJJLY-UHFFFAOYSA-N
XLogP2.27
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-oxazol-5-yl) acetate?
The IUPAC name of (2-phenyl-1,3-oxazol-5-yl) acetate (CID 134908005) is (2-phenyl-1,3-oxazol-5-yl) acetate.
What is the SMILES notation for (2-phenyl-1,3-oxazol-5-yl) acetate?
The canonical SMILES for (2-phenyl-1,3-oxazol-5-yl) acetate is CC(=O)Oc1cnc(-c2ccccc2)o1.
What is the InChIKey of (2-phenyl-1,3-oxazol-5-yl) acetate?
The InChIKey is XXXOIVKXGMJJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-8(13)14-10-7-12-11(15-10)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of (2-phenyl-1,3-oxazol-5-yl) acetate?
(2-phenyl-1,3-oxazol-5-yl) acetate has a molecular weight of 203.20 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-oxazol-5-yl) acetate is sourced from PubChem (CID 134908005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).