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

C11H11NO — CID 15325136

IUPAC2-benzyl-5-methyl-1,3-oxazole
SMILESCc1cnc(Cc2ccccc2)o1
InChIInChI=1S/C11H11NO/c1-9-8-12-11(13-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeySYVATHXGSSDLQV-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.57
Rot. Bonds2

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

2-benzyl-5-methyl-1,3-oxazole (PubChem CID 15325136) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-benzyl-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-benzyl-5-methyl-1,3-oxazole
PubChem CID15325136
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name2-benzyl-5-methyl-1,3-oxazole
SMILESCc1cnc(Cc2ccccc2)o1
InChIInChI=1S/C11H11NO/c1-9-8-12-11(13-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeySYVATHXGSSDLQV-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 2-benzyl-5-methyl-1,3-oxazole?
The IUPAC name of 2-benzyl-5-methyl-1,3-oxazole (CID 15325136) is 2-benzyl-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-benzyl-5-methyl-1,3-oxazole?
The canonical SMILES for 2-benzyl-5-methyl-1,3-oxazole is Cc1cnc(Cc2ccccc2)o1.
What is the InChIKey of 2-benzyl-5-methyl-1,3-oxazole?
The InChIKey is SYVATHXGSSDLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-9-8-12-11(13-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3.
What are the key properties of 2-benzyl-5-methyl-1,3-oxazole?
2-benzyl-5-methyl-1,3-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 2-benzyl-5-methyl-1,3-oxazole is sourced from PubChem (CID 15325136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).