5-benzyl-1,2-oxazol-3-one

C10H9NO2 — CID 13352927

IUPAC5-benzyl-1,2-oxazol-3-one
SMILESO=c1cc(Cc2ccccc2)o[nH]1
InChIInChI=1S/C10H9NO2/c12-10-7-9(13-11-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,12)
InChIKeySCVUKJARUFFBII-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.56
Rot. Bonds2

About 5-benzyl-1,2-oxazol-3-one

5-benzyl-1,2-oxazol-3-one (PubChem CID 13352927) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-benzyl-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-benzyl-1,2-oxazol-3-one
PubChem CID13352927
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name5-benzyl-1,2-oxazol-3-one
SMILESO=c1cc(Cc2ccccc2)o[nH]1
InChIInChI=1S/C10H9NO2/c12-10-7-9(13-11-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,12)
InChIKeySCVUKJARUFFBII-UHFFFAOYSA-N
XLogP1.56
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1,2-oxazol-3-one?
The IUPAC name of 5-benzyl-1,2-oxazol-3-one (CID 13352927) is 5-benzyl-1,2-oxazol-3-one.
What is the SMILES notation for 5-benzyl-1,2-oxazol-3-one?
The canonical SMILES for 5-benzyl-1,2-oxazol-3-one is O=c1cc(Cc2ccccc2)o[nH]1.
What is the InChIKey of 5-benzyl-1,2-oxazol-3-one?
The InChIKey is SCVUKJARUFFBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10-7-9(13-11-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,12).
What are the key properties of 5-benzyl-1,2-oxazol-3-one?
5-benzyl-1,2-oxazol-3-one has a molecular weight of 175.19 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1,2-oxazol-3-one is sourced from PubChem (CID 13352927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).