3-benzyl-4-hydroxy-5-methyl-1,3-oxazol-2-one

C11H11NO3 — CID 91929886

IUPAC3-benzyl-4-hydroxy-5-methyl-1,3-oxazol-2-one
SMILESCc1oc(=O)n(Cc2ccccc2)c1O
InChIInChI=1S/C11H11NO3/c1-8-10(13)12(11(14)15-8)7-9-5-3-2-4-6-9/h2-6,13H,7H2,1H3
InChIKeySVEOFUGZJDUXCS-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.50
Rot. Bonds2

About 3-benzyl-4-hydroxy-5-methyl-1,3-oxazol-2-one

3-benzyl-4-hydroxy-5-methyl-1,3-oxazol-2-one (PubChem CID 91929886) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-benzyl-4-hydroxy-5-methyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-benzyl-4-hydroxy-5-methyl-1,3-oxazol-2-one
PubChem CID91929886
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3-benzyl-4-hydroxy-5-methyl-1,3-oxazol-2-one
SMILESCc1oc(=O)n(Cc2ccccc2)c1O
InChIInChI=1S/C11H11NO3/c1-8-10(13)12(11(14)15-8)7-9-5-3-2-4-6-9/h2-6,13H,7H2,1H3
InChIKeySVEOFUGZJDUXCS-UHFFFAOYSA-N
XLogP1.50
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-hydroxy-5-methyl-1,3-oxazol-2-one?
The IUPAC name of 3-benzyl-4-hydroxy-5-methyl-1,3-oxazol-2-one (CID 91929886) is 3-benzyl-4-hydroxy-5-methyl-1,3-oxazol-2-one.
What is the SMILES notation for 3-benzyl-4-hydroxy-5-methyl-1,3-oxazol-2-one?
The canonical SMILES for 3-benzyl-4-hydroxy-5-methyl-1,3-oxazol-2-one is Cc1oc(=O)n(Cc2ccccc2)c1O.
What is the InChIKey of 3-benzyl-4-hydroxy-5-methyl-1,3-oxazol-2-one?
The InChIKey is SVEOFUGZJDUXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-8-10(13)12(11(14)15-8)7-9-5-3-2-4-6-9/h2-6,13H,7H2,1H3.
What are the key properties of 3-benzyl-4-hydroxy-5-methyl-1,3-oxazol-2-one?
3-benzyl-4-hydroxy-5-methyl-1,3-oxazol-2-one has a molecular weight of 205.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-hydroxy-5-methyl-1,3-oxazol-2-one is sourced from PubChem (CID 91929886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).