4-benzyl-3,5-dimethyl-1,2-oxazole

C12H13NO — CID 604338

IUPAC4-benzyl-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1Cc1ccccc1
InChIInChI=1S/C12H13NO/c1-9-12(10(2)14-13-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyJPBOUNOVBOOVFY-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.88
Rot. Bonds2

About 4-benzyl-3,5-dimethyl-1,2-oxazole

4-benzyl-3,5-dimethyl-1,2-oxazole (PubChem CID 604338) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-benzyl-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-benzyl-3,5-dimethyl-1,2-oxazole
PubChem CID604338
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name4-benzyl-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1Cc1ccccc1
InChIInChI=1S/C12H13NO/c1-9-12(10(2)14-13-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyJPBOUNOVBOOVFY-UHFFFAOYSA-N
XLogP2.88
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-benzyl-3,5-dimethyl-1,2-oxazole (CID 604338) is 4-benzyl-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-benzyl-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-benzyl-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3,5-dimethyl-1,2-oxazole?
The InChIKey is JPBOUNOVBOOVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9-12(10(2)14-13-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3.
What are the key properties of 4-benzyl-3,5-dimethyl-1,2-oxazole?
4-benzyl-3,5-dimethyl-1,2-oxazole has a molecular weight of 187.24 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 604338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).