2,4-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazole

C13H13NO — CID 46894292

IUPAC2,4-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazole
SMILESCc1nc(C)c(/C=C/c2ccccc2)o1
InChIInChI=1S/C13H13NO/c1-10-13(15-11(2)14-10)9-8-12-6-4-3-5-7-12/h3-9H,1-2H3/b9-8+
InChIKeyQKTZCYQBVNFNRF-CMDGGOBGSA-N
MW199.25 g/mol
LogP3.46
Rot. Bonds2

About 2,4-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazole

2,4-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazole (PubChem CID 46894292) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2,4-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazole
PubChem CID46894292
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2,4-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazole
SMILESCc1nc(C)c(/C=C/c2ccccc2)o1
InChIInChI=1S/C13H13NO/c1-10-13(15-11(2)14-10)9-8-12-6-4-3-5-7-12/h3-9H,1-2H3/b9-8+
InChIKeyQKTZCYQBVNFNRF-CMDGGOBGSA-N
XLogP3.46
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazole?
The IUPAC name of 2,4-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazole (CID 46894292) is 2,4-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazole.
What is the SMILES notation for 2,4-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazole?
The canonical SMILES for 2,4-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazole is Cc1nc(C)c(/C=C/c2ccccc2)o1.
What is the InChIKey of 2,4-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazole?
The InChIKey is QKTZCYQBVNFNRF-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H13NO/c1-10-13(15-11(2)14-10)9-8-12-6-4-3-5-7-12/h3-9H,1-2H3/b9-8+.
What are the key properties of 2,4-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazole?
2,4-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazole has a molecular weight of 199.25 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[(E)-2-phenylethenyl]-1,3-oxazole is sourced from PubChem (CID 46894292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).