2-[(E)-1,2-diphenylethenyl]-5-methyl-1,3-oxazole

C18H15NO — CID 135014901

IUPAC2-[(E)-1,2-diphenylethenyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(/C(=C/c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C18H15NO/c1-14-13-19-18(20-14)17(16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h2-13H,1H3/b17-12+
InChIKeyRIRVIVQHITUREU-SFQUDFHCSA-N
MW261.32 g/mol
LogP4.57
Rot. Bonds3

About 2-[(E)-1,2-diphenylethenyl]-5-methyl-1,3-oxazole

2-[(E)-1,2-diphenylethenyl]-5-methyl-1,3-oxazole (PubChem CID 135014901) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(E)-1,2-diphenylethenyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(E)-1,2-diphenylethenyl]-5-methyl-1,3-oxazole
PubChem CID135014901
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name2-[(E)-1,2-diphenylethenyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(/C(=C/c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C18H15NO/c1-14-13-19-18(20-14)17(16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h2-13H,1H3/b17-12+
InChIKeyRIRVIVQHITUREU-SFQUDFHCSA-N
XLogP4.57
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 173126547
CID 173126547
3-[(Z)-1,2-diphenylethenyl]-2,5-dimethylfuran
CID 12624786
1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene
CID 102283566
1,2-diphenylethenylbenzene;quinoxaline
CID 175322673
1,2-diphenylethenylbenzene;2-methylphenol
CID 159908422
CID 172843956
CID 172843956
1,2-diphenylethenylbenzene;furan
CID 175372951
[5-benzoyl-2-(1,2-diphenylethenyl)-1,3-oxazol-4-yl]-phenylmethanone
CID 54508466
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene
CID 12611498
1-[2-[(E)-1,2-diphenylethenyl]phenyl]ethanone
CID 11380988
1-(1,2-diphenylethenyl)-4-phenylbenzene
CID 54005685

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1,2-diphenylethenyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[(E)-1,2-diphenylethenyl]-5-methyl-1,3-oxazole (CID 135014901) is 2-[(E)-1,2-diphenylethenyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[(E)-1,2-diphenylethenyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[(E)-1,2-diphenylethenyl]-5-methyl-1,3-oxazole is Cc1cnc(/C(=C/c2ccccc2)c2ccccc2)o1.
What is the InChIKey of 2-[(E)-1,2-diphenylethenyl]-5-methyl-1,3-oxazole?
The InChIKey is RIRVIVQHITUREU-SFQUDFHCSA-N. The full InChI is InChI=1S/C18H15NO/c1-14-13-19-18(20-14)17(16-10-6-3-7-11-16)12-15-8-4-2-5-9-15/h2-13H,1H3/b17-12+.
What are the key properties of 2-[(E)-1,2-diphenylethenyl]-5-methyl-1,3-oxazole?
2-[(E)-1,2-diphenylethenyl]-5-methyl-1,3-oxazole has a molecular weight of 261.32 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1,2-diphenylethenyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 135014901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).