[(5R)-3-(2,6-dichlorophenyl)-5-methoxy-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]-hydroxy-(4-methylphenyl)sulfanium

C18H15Cl2F3NO3S+ — CID 143608206

IUPAC[(5R)-3-(2,6-dichlorophenyl)-5-methoxy-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]-hydroxy-(4-methylphenyl)sulfanium
SMILESCO[C@]1(C(F)(F)F)ON=C(c2c(Cl)cccc2Cl)C1[S+](O)c1ccc(C)cc1
InChIInChI=1S/C18H15Cl2F3NO3S/c1-10-6-8-11(9-7-10)28(25)16-15(14-12(19)4-3-5-13(14)20)24-27-17(16,26-2)18(21,22)23/h3-9,16,25H,1-2H3/q+1/t16?,17-,28?/m0/s1
InChIKeyNKEWJONKDNEYDS-CORSIEHUSA-N
MW453.29 g/mol
LogP5.46
Rot. Bonds4

About [(5R)-3-(2,6-dichlorophenyl)-5-methoxy-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]-hydroxy-(4-methylphenyl)sulfanium

[(5R)-3-(2,6-dichlorophenyl)-5-methoxy-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]-hydroxy-(4-methylphenyl)sulfanium (PubChem CID 143608206) has the molecular formula C18H15Cl2F3NO3S+ and a molecular weight of 453.29 g/mol. Its IUPAC name is [(5R)-3-(2,6-dichlorophenyl)-5-methoxy-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]-hydroxy-(4-methylphenyl)sulfanium.

Molecular Properties

Compound Name[(5R)-3-(2,6-dichlorophenyl)-5-methoxy-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]-hydroxy-(4-methylphenyl)sulfanium
PubChem CID143608206
Molecular FormulaC18H15Cl2F3NO3S+
Molecular Weight453.29 g/mol
Exact Mass452.01
IUPAC Name[(5R)-3-(2,6-dichlorophenyl)-5-methoxy-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]-hydroxy-(4-methylphenyl)sulfanium
SMILESCO[C@]1(C(F)(F)F)ON=C(c2c(Cl)cccc2Cl)C1[S+](O)c1ccc(C)cc1
InChIInChI=1S/C18H15Cl2F3NO3S/c1-10-6-8-11(9-7-10)28(25)16-15(14-12(19)4-3-5-13(14)20)24-27-17(16,26-2)18(21,22)23/h3-9,16,25H,1-2H3/q+1/t16?,17-,28?/m0/s1
InChIKeyNKEWJONKDNEYDS-CORSIEHUSA-N
XLogP5.46
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.29
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(5R)-3-(2,6-dichlorophenyl)-5-methoxy-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]-hydroxy-(4-methylphenyl)sulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-(2,6-dichlorophenyl)-5-methoxy-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]-hydroxy-(4-methylphenyl)sulfanium?
The IUPAC name of [(5R)-3-(2,6-dichlorophenyl)-5-methoxy-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]-hydroxy-(4-methylphenyl)sulfanium (CID 143608206) is [(5R)-3-(2,6-dichlorophenyl)-5-methoxy-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]-hydroxy-(4-methylphenyl)sulfanium.
What is the SMILES notation for [(5R)-3-(2,6-dichlorophenyl)-5-methoxy-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]-hydroxy-(4-methylphenyl)sulfanium?
The canonical SMILES for [(5R)-3-(2,6-dichlorophenyl)-5-methoxy-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]-hydroxy-(4-methylphenyl)sulfanium is CO[C@]1(C(F)(F)F)ON=C(c2c(Cl)cccc2Cl)C1[S+](O)c1ccc(C)cc1.
What is the InChIKey of [(5R)-3-(2,6-dichlorophenyl)-5-methoxy-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]-hydroxy-(4-methylphenyl)sulfanium?
The InChIKey is NKEWJONKDNEYDS-CORSIEHUSA-N. The full InChI is InChI=1S/C18H15Cl2F3NO3S/c1-10-6-8-11(9-7-10)28(25)16-15(14-12(19)4-3-5-13(14)20)24-27-17(16,26-2)18(21,22)23/h3-9,16,25H,1-2H3/q+1/t16?,17-,28?/m0/s1.
What are the key properties of [(5R)-3-(2,6-dichlorophenyl)-5-methoxy-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]-hydroxy-(4-methylphenyl)sulfanium?
[(5R)-3-(2,6-dichlorophenyl)-5-methoxy-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]-hydroxy-(4-methylphenyl)sulfanium has a molecular weight of 453.29 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-(2,6-dichlorophenyl)-5-methoxy-5-(trifluoromethyl)-4H-1,2-oxazol-4-yl]-hydroxy-(4-methylphenyl)sulfanium is sourced from PubChem (CID 143608206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).