5-benzyl-2-methyl-4,5-dihydro-1,3-oxazole

C11H13NO — CID 10535249

IUPAC5-benzyl-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1=NCC(Cc2ccccc2)O1
InChIInChI=1S/C11H13NO/c1-9-12-8-11(13-9)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKeyBUNDLTKJSYVTNM-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.05
Rot. Bonds2

About 5-benzyl-2-methyl-4,5-dihydro-1,3-oxazole

5-benzyl-2-methyl-4,5-dihydro-1,3-oxazole (PubChem CID 10535249) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-benzyl-2-methyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-benzyl-2-methyl-4,5-dihydro-1,3-oxazole
PubChem CID10535249
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name5-benzyl-2-methyl-4,5-dihydro-1,3-oxazole
SMILESCC1=NCC(Cc2ccccc2)O1
InChIInChI=1S/C11H13NO/c1-9-12-8-11(13-9)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKeyBUNDLTKJSYVTNM-UHFFFAOYSA-N
XLogP2.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-methyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-benzyl-2-methyl-4,5-dihydro-1,3-oxazole (CID 10535249) is 5-benzyl-2-methyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-benzyl-2-methyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-benzyl-2-methyl-4,5-dihydro-1,3-oxazole is CC1=NCC(Cc2ccccc2)O1.
What is the InChIKey of 5-benzyl-2-methyl-4,5-dihydro-1,3-oxazole?
The InChIKey is BUNDLTKJSYVTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-9-12-8-11(13-9)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3.
What are the key properties of 5-benzyl-2-methyl-4,5-dihydro-1,3-oxazole?
5-benzyl-2-methyl-4,5-dihydro-1,3-oxazole has a molecular weight of 175.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-methyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10535249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).