5-benzyl-1,2-oxazole

C10H9NO — CID 21193134

IUPAC5-benzyl-1,2-oxazole
SMILESc1ccc(Cc2ccno2)cc1
InChIInChI=1S/C10H9NO/c1-2-4-9(5-3-1)8-10-6-7-11-12-10/h1-7H,8H2
InChIKeySCMWTJYICIEIAF-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.27
Rot. Bonds2

About 5-benzyl-1,2-oxazole

5-benzyl-1,2-oxazole (PubChem CID 21193134) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 5-benzyl-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-1,2-oxazole
PubChem CID21193134
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name5-benzyl-1,2-oxazole
SMILESc1ccc(Cc2ccno2)cc1
InChIInChI=1S/C10H9NO/c1-2-4-9(5-3-1)8-10-6-7-11-12-10/h1-7H,8H2
InChIKeySCMWTJYICIEIAF-UHFFFAOYSA-N
XLogP2.27
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1,2-oxazole?
The IUPAC name of 5-benzyl-1,2-oxazole (CID 21193134) is 5-benzyl-1,2-oxazole.
What is the SMILES notation for 5-benzyl-1,2-oxazole?
The canonical SMILES for 5-benzyl-1,2-oxazole is c1ccc(Cc2ccno2)cc1.
What is the InChIKey of 5-benzyl-1,2-oxazole?
The InChIKey is SCMWTJYICIEIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-2-4-9(5-3-1)8-10-6-7-11-12-10/h1-7H,8H2.
What are the key properties of 5-benzyl-1,2-oxazole?
5-benzyl-1,2-oxazole has a molecular weight of 159.19 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1,2-oxazole is sourced from PubChem (CID 21193134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).