3-benzyl-4-methyl-1,3-oxazol-2-one

C11H11NO2 — CID 10867121

IUPAC3-benzyl-4-methyl-1,3-oxazol-2-one
SMILESCc1coc(=O)n1Cc1ccccc1
InChIInChI=1S/C11H11NO2/c1-9-8-14-11(13)12(9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyNSXVKKPBGUWCNM-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.80
Rot. Bonds2

About 3-benzyl-4-methyl-1,3-oxazol-2-one

3-benzyl-4-methyl-1,3-oxazol-2-one (PubChem CID 10867121) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-benzyl-4-methyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-benzyl-4-methyl-1,3-oxazol-2-one
PubChem CID10867121
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-benzyl-4-methyl-1,3-oxazol-2-one
SMILESCc1coc(=O)n1Cc1ccccc1
InChIInChI=1S/C11H11NO2/c1-9-8-14-11(13)12(9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyNSXVKKPBGUWCNM-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 3-benzyl-4-methyl-1,3-oxazol-2-one?
The IUPAC name of 3-benzyl-4-methyl-1,3-oxazol-2-one (CID 10867121) is 3-benzyl-4-methyl-1,3-oxazol-2-one.
What is the SMILES notation for 3-benzyl-4-methyl-1,3-oxazol-2-one?
The canonical SMILES for 3-benzyl-4-methyl-1,3-oxazol-2-one is Cc1coc(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-methyl-1,3-oxazol-2-one?
The InChIKey is NSXVKKPBGUWCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-9-8-14-11(13)12(9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3.
What are the key properties of 3-benzyl-4-methyl-1,3-oxazol-2-one?
3-benzyl-4-methyl-1,3-oxazol-2-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 3-benzyl-4-methyl-1,3-oxazol-2-one is sourced from PubChem (CID 10867121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).