5-(4-methoxyphenyl)-2-methyl-3-[2-(4-methylphenyl)ethenyl]-1,2-oxazol-2-ium

C20H20NO2+ — CID 4128385

IUPAC5-(4-methoxyphenyl)-2-methyl-3-[2-(4-methylphenyl)ethenyl]-1,2-oxazol-2-ium
SMILESCOc1ccc(-c2cc(C=Cc3ccc(C)cc3)[n+](C)o2)cc1
InChIInChI=1S/C20H20NO2/c1-15-4-6-16(7-5-15)8-11-18-14-20(23-21(18)2)17-9-12-19(22-3)13-10-17/h4-14H,1-3H3/q+1
InChIKeyWRKCNNGUYBXVRW-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.26
Rot. Bonds4

About 5-(4-methoxyphenyl)-2-methyl-3-[2-(4-methylphenyl)ethenyl]-1,2-oxazol-2-ium

5-(4-methoxyphenyl)-2-methyl-3-[2-(4-methylphenyl)ethenyl]-1,2-oxazol-2-ium (PubChem CID 4128385) has the molecular formula C20H20NO2+ and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-methyl-3-[2-(4-methylphenyl)ethenyl]-1,2-oxazol-2-ium.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-methyl-3-[2-(4-methylphenyl)ethenyl]-1,2-oxazol-2-ium
PubChem CID4128385
Molecular FormulaC20H20NO2+
Molecular Weight306.39 g/mol
Exact Mass306.15
IUPAC Name5-(4-methoxyphenyl)-2-methyl-3-[2-(4-methylphenyl)ethenyl]-1,2-oxazol-2-ium
SMILESCOc1ccc(-c2cc(C=Cc3ccc(C)cc3)[n+](C)o2)cc1
InChIInChI=1S/C20H20NO2/c1-15-4-6-16(7-5-15)8-11-18-14-20(23-21(18)2)17-9-12-19(22-3)13-10-17/h4-14H,1-3H3/q+1
InChIKeyWRKCNNGUYBXVRW-UHFFFAOYSA-N
XLogP4.26
TPSA26.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-2-(4-chlorophenyl)ethenyl]-5-(4-methoxyphenyl)-2-methyl-1,2-oxazol-2-ium
CID 11742494
2-methyl-5-(4-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-2-ium tetrafluoroborate
CID 10429650
2-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]-5-phenyl-1,2-oxazol-2-ium tetrafluoroborate
CID 11726195
2-methyl-3-[2-(4-methylphenyl)ethenyl]-5-phenyl-1,2-oxazol-2-ium tetrafluoroborate
CID 73074873
5-(4-methoxyphenyl)-2-methyl-3-[(E)-2-(4-nitrophenyl)ethenyl]-1,2-oxazol-2-ium tetrafluoroborate
CID 10251734
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,4-dimethylpyridin-1-ium iodide
CID 164740738
5-(4-chlorophenyl)-2-methyl-3-[(E)-2-phenylethenyl]-1,2-oxazol-2-ium tetrafluoroborate
CID 10430063
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
N,N-dimethyl-4-[(E)-2-(2-methyl-5-phenyl-1,2-oxazol-2-ium-3-yl)ethenyl]aniline tetrafluoroborate
CID 10430587
1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene
CID 58240360
2-[2-(4-methoxyphenyl)ethenyl]-1,3,5-trimethylbenzene
CID 69464209

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-methyl-3-[2-(4-methylphenyl)ethenyl]-1,2-oxazol-2-ium?
The IUPAC name of 5-(4-methoxyphenyl)-2-methyl-3-[2-(4-methylphenyl)ethenyl]-1,2-oxazol-2-ium (CID 4128385) is 5-(4-methoxyphenyl)-2-methyl-3-[2-(4-methylphenyl)ethenyl]-1,2-oxazol-2-ium.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-methyl-3-[2-(4-methylphenyl)ethenyl]-1,2-oxazol-2-ium?
The canonical SMILES for 5-(4-methoxyphenyl)-2-methyl-3-[2-(4-methylphenyl)ethenyl]-1,2-oxazol-2-ium is COc1ccc(-c2cc(C=Cc3ccc(C)cc3)[n+](C)o2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-methyl-3-[2-(4-methylphenyl)ethenyl]-1,2-oxazol-2-ium?
The InChIKey is WRKCNNGUYBXVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20NO2/c1-15-4-6-16(7-5-15)8-11-18-14-20(23-21(18)2)17-9-12-19(22-3)13-10-17/h4-14H,1-3H3/q+1.
What are the key properties of 5-(4-methoxyphenyl)-2-methyl-3-[2-(4-methylphenyl)ethenyl]-1,2-oxazol-2-ium?
5-(4-methoxyphenyl)-2-methyl-3-[2-(4-methylphenyl)ethenyl]-1,2-oxazol-2-ium has a molecular weight of 306.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-methyl-3-[2-(4-methylphenyl)ethenyl]-1,2-oxazol-2-ium is sourced from PubChem (CID 4128385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).