methoxy-(5-methoxy-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-(4-methylphenyl)sulfanium

C18H20NO3S+ — CID 143608215

IUPACmethoxy-(5-methoxy-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-(4-methylphenyl)sulfanium
SMILESCOC1ON=C(c2ccccc2)C1[S+](OC)c1ccc(C)cc1
InChIInChI=1S/C18H20NO3S/c1-13-9-11-15(12-10-13)23(21-3)17-16(19-22-18(17)20-2)14-7-5-4-6-8-14/h4-12,17-18H,1-3H3/q+1
InChIKeyYEEJOAHQIUNHKS-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.31
Rot. Bonds5

About methoxy-(5-methoxy-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-(4-methylphenyl)sulfanium

methoxy-(5-methoxy-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-(4-methylphenyl)sulfanium (PubChem CID 143608215) has the molecular formula C18H20NO3S+ and a molecular weight of 330.43 g/mol. Its IUPAC name is methoxy-(5-methoxy-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-(4-methylphenyl)sulfanium.

Molecular Properties

Compound Namemethoxy-(5-methoxy-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-(4-methylphenyl)sulfanium
PubChem CID143608215
Molecular FormulaC18H20NO3S+
Molecular Weight330.43 g/mol
Exact Mass330.12
IUPAC Namemethoxy-(5-methoxy-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-(4-methylphenyl)sulfanium
SMILESCOC1ON=C(c2ccccc2)C1[S+](OC)c1ccc(C)cc1
InChIInChI=1S/C18H20NO3S/c1-13-9-11-15(12-10-13)23(21-3)17-16(19-22-18(17)20-2)14-7-5-4-6-8-14/h4-12,17-18H,1-3H3/q+1
InChIKeyYEEJOAHQIUNHKS-UHFFFAOYSA-N
XLogP3.31
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S)-3-(4-methoxyphenyl)-5-methyl-4-phenyl-4,5-dihydro-1,2-oxazole
CID 71398426
(3aS,6R,8aS)-6-(4-methylphenyl)-3-phenyl-3a,4,8,8a-tetrahydro-[1,3]dioxepino[5,6-d][1,2]oxazole
CID 101136986
[4-(4-methylphenyl)phenyl]-diphenylsulfanium
CID 172737703
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
(3aR,6aR)-3-(4-methylphenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 98218781
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
(4R,5R)-4-(4-methoxyphenyl)-5-nitro-3-phenyl-4,5-dihydro-1,2-oxazole
CID 14638130
6-(4-methoxyphenyl)-5-methyl-3-phenyl-3a,7a-dihydro-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 166635034
(4-methylphenyl)-diphenylsulfanium bromide
CID 23133059
[3-(4-bromobenzoyl)-5-(1-fluoroethyl)-5-hydroxy-4H-1,2-oxazol-4-yl]-methoxy-(4-methylphenyl)sulfanium;toluene
CID 143608230
(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
CID 95988225

Frequently Asked Questions

What is the IUPAC name of methoxy-(5-methoxy-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-(4-methylphenyl)sulfanium?
The IUPAC name of methoxy-(5-methoxy-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-(4-methylphenyl)sulfanium (CID 143608215) is methoxy-(5-methoxy-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-(4-methylphenyl)sulfanium.
What is the SMILES notation for methoxy-(5-methoxy-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-(4-methylphenyl)sulfanium?
The canonical SMILES for methoxy-(5-methoxy-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-(4-methylphenyl)sulfanium is COC1ON=C(c2ccccc2)C1[S+](OC)c1ccc(C)cc1.
What is the InChIKey of methoxy-(5-methoxy-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-(4-methylphenyl)sulfanium?
The InChIKey is YEEJOAHQIUNHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20NO3S/c1-13-9-11-15(12-10-13)23(21-3)17-16(19-22-18(17)20-2)14-7-5-4-6-8-14/h4-12,17-18H,1-3H3/q+1.
What are the key properties of methoxy-(5-methoxy-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-(4-methylphenyl)sulfanium?
methoxy-(5-methoxy-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-(4-methylphenyl)sulfanium has a molecular weight of 330.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(5-methoxy-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-(4-methylphenyl)sulfanium is sourced from PubChem (CID 143608215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).