5-tert-butyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole

C15H19NO — CID 13479493

IUPAC5-tert-butyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole
SMILESCC(C)(C)C1CC(/C=C/c2ccccc2)=NO1
InChIInChI=1S/C15H19NO/c1-15(2,3)14-11-13(16-17-14)10-9-12-7-5-4-6-8-12/h4-10,14H,11H2,1-3H3/b10-9+
InChIKeyCCTDJXFQOUOADE-MDZDMXLPSA-N
MW229.32 g/mol
LogP3.89
Rot. Bonds2

About 5-tert-butyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole

5-tert-butyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole (PubChem CID 13479493) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 5-tert-butyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-tert-butyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole
PubChem CID13479493
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name5-tert-butyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole
SMILESCC(C)(C)C1CC(/C=C/c2ccccc2)=NO1
InChIInChI=1S/C15H19NO/c1-15(2,3)14-11-13(16-17-14)10-9-12-7-5-4-6-8-12/h4-10,14H,11H2,1-3H3/b10-9+
InChIKeyCCTDJXFQOUOADE-MDZDMXLPSA-N
XLogP3.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-tert-butyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole (CID 13479493) is 5-tert-butyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-tert-butyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-tert-butyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole is CC(C)(C)C1CC(/C=C/c2ccccc2)=NO1.
What is the InChIKey of 5-tert-butyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is CCTDJXFQOUOADE-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H19NO/c1-15(2,3)14-11-13(16-17-14)10-9-12-7-5-4-6-8-12/h4-10,14H,11H2,1-3H3/b10-9+.
What are the key properties of 5-tert-butyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole?
5-tert-butyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 229.32 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[(E)-2-phenylethenyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 13479493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).