2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole

C18H17NO — CID 11414369

IUPAC2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCc1cccc(/C=C/c2ccccc2)c1C1=NCCO1
InChIInChI=1S/C18H17NO/c1-14-6-5-9-16(17(14)18-19-12-13-20-18)11-10-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3/b11-10+
InChIKeyJQJSLPHGTGYHBE-ZHACJKMWSA-N
MW263.34 g/mol
LogP3.94
Rot. Bonds3

About 2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole

2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 11414369) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID11414369
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCc1cccc(/C=C/c2ccccc2)c1C1=NCCO1
InChIInChI=1S/C18H17NO/c1-14-6-5-9-16(17(14)18-19-12-13-20-18)11-10-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3/b11-10+
InChIKeyJQJSLPHGTGYHBE-ZHACJKMWSA-N
XLogP3.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole (CID 11414369) is 2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole is Cc1cccc(/C=C/c2ccccc2)c1C1=NCCO1.
What is the InChIKey of 2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is JQJSLPHGTGYHBE-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H17NO/c1-14-6-5-9-16(17(14)18-19-12-13-20-18)11-10-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3/b11-10+.
What are the key properties of 2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole?
2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 263.34 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11414369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).