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

C11H11NO — CID 10442178

IUPAC5-benzyl-3-methyl-1,2-oxazole
SMILESCc1cc(Cc2ccccc2)on1
InChIInChI=1S/C11H11NO/c1-9-7-11(13-12-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyXFULVODBWSWOSS-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.57
Rot. Bonds2

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

5-benzyl-3-methyl-1,2-oxazole (PubChem CID 10442178) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 5-benzyl-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-3-methyl-1,2-oxazole
PubChem CID10442178
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name5-benzyl-3-methyl-1,2-oxazole
SMILESCc1cc(Cc2ccccc2)on1
InChIInChI=1S/C11H11NO/c1-9-7-11(13-12-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyXFULVODBWSWOSS-UHFFFAOYSA-N
XLogP2.57
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-methyl-1,2-oxazole?
The IUPAC name of 5-benzyl-3-methyl-1,2-oxazole (CID 10442178) is 5-benzyl-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-benzyl-3-methyl-1,2-oxazole?
The canonical SMILES for 5-benzyl-3-methyl-1,2-oxazole is Cc1cc(Cc2ccccc2)on1.
What is the InChIKey of 5-benzyl-3-methyl-1,2-oxazole?
The InChIKey is XFULVODBWSWOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-9-7-11(13-12-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3.
What are the key properties of 5-benzyl-3-methyl-1,2-oxazole?
5-benzyl-3-methyl-1,2-oxazole has a molecular weight of 173.21 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-methyl-1,2-oxazole is sourced from PubChem (CID 10442178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).