5-(3,5-dichlorophenyl)-3-propan-2-yl-5-(trifluoromethyl)-4H-1,2-oxazole;methane

C14H16Cl2F3NO — CID 161326009

IUPAC5-(3,5-dichlorophenyl)-3-propan-2-yl-5-(trifluoromethyl)-4H-1,2-oxazole;methane
SMILESC.CC(C)C1=NOC(c2cc(Cl)cc(Cl)c2)(C(F)(F)F)C1
InChIInChI=1S/C13H12Cl2F3NO.CH4/c1-7(2)11-6-12(20-19-11,13(16,17)18)8-3-9(14)5-10(15)4-8;/h3-5,7H,6H2,1-2H3;1H4
InChIKeyVKTWBYUBYHKGLB-UHFFFAOYSA-N
MW342.19 g/mol
LogP5.82
Rot. Bonds2

About 5-(3,5-dichlorophenyl)-3-propan-2-yl-5-(trifluoromethyl)-4H-1,2-oxazole;methane

5-(3,5-dichlorophenyl)-3-propan-2-yl-5-(trifluoromethyl)-4H-1,2-oxazole;methane (PubChem CID 161326009) has the molecular formula C14H16Cl2F3NO and a molecular weight of 342.19 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-3-propan-2-yl-5-(trifluoromethyl)-4H-1,2-oxazole;methane.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-3-propan-2-yl-5-(trifluoromethyl)-4H-1,2-oxazole;methane
PubChem CID161326009
Molecular FormulaC14H16Cl2F3NO
Molecular Weight342.19 g/mol
Exact Mass341.06
IUPAC Name5-(3,5-dichlorophenyl)-3-propan-2-yl-5-(trifluoromethyl)-4H-1,2-oxazole;methane
SMILESC.CC(C)C1=NOC(c2cc(Cl)cc(Cl)c2)(C(F)(F)F)C1
InChIInChI=1S/C13H12Cl2F3NO.CH4/c1-7(2)11-6-12(20-19-11,13(16,17)18)8-3-9(14)5-10(15)4-8;/h3-5,7H,6H2,1-2H3;1H4
InChIKeyVKTWBYUBYHKGLB-UHFFFAOYSA-N
XLogP5.82
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.19
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,5-Dichlorophenyl)-3-(3-fluoro-4-methylphenyl)-5-trifluoromethyl-4,5-dihydroisoxazole
CID 23159813
3-(4-chloro-3-methylphenyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 25157663
5-(3,5-Dichlorophenyl) 3-(4-methylphenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazole
CID 58223543
5-(3,5-Dichlorophenyl)-3-(4-fluoro-3-methylphenyl)-4,5-dihydro-5-(trifluoromethyl)isoxazole
CID 58223544
3-Bromo-5-(3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazole
CID 58497922
5-(3,5-Dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazole-3-carbaldehyde
CID 58497942
3-Chloro-5-(3,5-dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazole
CID 58497965
[5-(3,5-Dichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-methanol
CID 58497981
3-Chloro-5-(3,5-dichlorophenyl)-4-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
CID 58498036
5-(3,5-Dichlorophenyl)-3-(M-tolyl)-5-(trifluoromethyl)-4,5-dihydroisoxazole
CID 58533557
5-(3,5-dichlorophenyl)-3-(3,4-dimethylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
CID 59370905
5-(3,5-dichlorophenyl)-3-propan-2-yl-5-(trifluoromethyl)-4H-1,2-oxazole
CID 59618096

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-3-propan-2-yl-5-(trifluoromethyl)-4H-1,2-oxazole;methane?
The IUPAC name of 5-(3,5-dichlorophenyl)-3-propan-2-yl-5-(trifluoromethyl)-4H-1,2-oxazole;methane (CID 161326009) is 5-(3,5-dichlorophenyl)-3-propan-2-yl-5-(trifluoromethyl)-4H-1,2-oxazole;methane.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-3-propan-2-yl-5-(trifluoromethyl)-4H-1,2-oxazole;methane?
The canonical SMILES for 5-(3,5-dichlorophenyl)-3-propan-2-yl-5-(trifluoromethyl)-4H-1,2-oxazole;methane is C.CC(C)C1=NOC(c2cc(Cl)cc(Cl)c2)(C(F)(F)F)C1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-3-propan-2-yl-5-(trifluoromethyl)-4H-1,2-oxazole;methane?
The InChIKey is VKTWBYUBYHKGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2F3NO.CH4/c1-7(2)11-6-12(20-19-11,13(16,17)18)8-3-9(14)5-10(15)4-8;/h3-5,7H,6H2,1-2H3;1H4.
What are the key properties of 5-(3,5-dichlorophenyl)-3-propan-2-yl-5-(trifluoromethyl)-4H-1,2-oxazole;methane?
5-(3,5-dichlorophenyl)-3-propan-2-yl-5-(trifluoromethyl)-4H-1,2-oxazole;methane has a molecular weight of 342.19 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-3-propan-2-yl-5-(trifluoromethyl)-4H-1,2-oxazole;methane is sourced from PubChem (CID 161326009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).