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

C20H21NO — CID 23584346

IUPAC4,4-dimethyl-2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-5H-1,3-oxazole
SMILESCc1cccc(/C=C/c2ccccc2)c1C1=NC(C)(C)CO1
InChIInChI=1S/C20H21NO/c1-15-8-7-11-17(13-12-16-9-5-4-6-10-16)18(15)19-21-20(2,3)14-22-19/h4-13H,14H2,1-3H3/b13-12+
InChIKeyTVIPZYZSDQQGMB-OUKQBFOZSA-N
MW291.39 g/mol
LogP4.72
Rot. Bonds3

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

4,4-dimethyl-2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-5H-1,3-oxazole (PubChem CID 23584346) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 4,4-dimethyl-2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-5H-1,3-oxazole
PubChem CID23584346
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name4,4-dimethyl-2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-5H-1,3-oxazole
SMILESCc1cccc(/C=C/c2ccccc2)c1C1=NC(C)(C)CO1
InChIInChI=1S/C20H21NO/c1-15-8-7-11-17(13-12-16-9-5-4-6-10-16)18(15)19-21-20(2,3)14-22-19/h4-13H,14H2,1-3H3/b13-12+
InChIKeyTVIPZYZSDQQGMB-OUKQBFOZSA-N
XLogP4.72
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.72
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 4,4-dimethyl-2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-5H-1,3-oxazole (CID 23584346) is 4,4-dimethyl-2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-5H-1,3-oxazole is Cc1cccc(/C=C/c2ccccc2)c1C1=NC(C)(C)CO1.
What is the InChIKey of 4,4-dimethyl-2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-5H-1,3-oxazole?
The InChIKey is TVIPZYZSDQQGMB-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H21NO/c1-15-8-7-11-17(13-12-16-9-5-4-6-10-16)18(15)19-21-20(2,3)14-22-19/h4-13H,14H2,1-3H3/b13-12+.
What are the key properties of 4,4-dimethyl-2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-5H-1,3-oxazole has a molecular weight of 291.39 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[2-methyl-6-[(E)-2-phenylethenyl]phenyl]-5H-1,3-oxazole is sourced from PubChem (CID 23584346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).