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

C11H11NO2 — CID 12746069

IUPAC2-benzyl-5-methyl-1,2-oxazol-3-one
SMILESCc1cc(=O)n(Cc2ccccc2)o1
InChIInChI=1S/C11H11NO2/c1-9-7-11(13)12(14-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyJNYPOJQDTGBJHF-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.80
Rot. Bonds2

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

2-benzyl-5-methyl-1,2-oxazol-3-one (PubChem CID 12746069) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-benzyl-5-methyl-1,2-oxazol-3-one.

Molecular Properties

Compound Name2-benzyl-5-methyl-1,2-oxazol-3-one
PubChem CID12746069
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-benzyl-5-methyl-1,2-oxazol-3-one
SMILESCc1cc(=O)n(Cc2ccccc2)o1
InChIInChI=1S/C11H11NO2/c1-9-7-11(13)12(14-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyJNYPOJQDTGBJHF-UHFFFAOYSA-N
XLogP1.80
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-methyl-1,2-oxazol-3-one?
The IUPAC name of 2-benzyl-5-methyl-1,2-oxazol-3-one (CID 12746069) is 2-benzyl-5-methyl-1,2-oxazol-3-one.
What is the SMILES notation for 2-benzyl-5-methyl-1,2-oxazol-3-one?
The canonical SMILES for 2-benzyl-5-methyl-1,2-oxazol-3-one is Cc1cc(=O)n(Cc2ccccc2)o1.
What is the InChIKey of 2-benzyl-5-methyl-1,2-oxazol-3-one?
The InChIKey is JNYPOJQDTGBJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-9-7-11(13)12(14-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3.
What are the key properties of 2-benzyl-5-methyl-1,2-oxazol-3-one?
2-benzyl-5-methyl-1,2-oxazol-3-one has a molecular weight of 189.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-methyl-1,2-oxazol-3-one is sourced from PubChem (CID 12746069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).