5-(3,5-dichlorophenyl)-3-methyl-5-(trifluoromethyl)-4H-1,2-oxazole

C11H8Cl2F3NO — CID 89002773

IUPAC5-(3,5-dichlorophenyl)-3-methyl-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESCC1=NOC(c2cc(Cl)cc(Cl)c2)(C(F)(F)F)C1
InChIInChI=1S/C11H8Cl2F3NO/c1-6-5-10(18-17-6,11(14,15)16)7-2-8(12)4-9(13)3-7/h2-4H,5H2,1H3
InChIKeyDSGRJEPDEOCZTL-UHFFFAOYSA-N
MW298.09 g/mol
LogP4.55
Rot. Bonds1

About 5-(3,5-dichlorophenyl)-3-methyl-5-(trifluoromethyl)-4H-1,2-oxazole

5-(3,5-dichlorophenyl)-3-methyl-5-(trifluoromethyl)-4H-1,2-oxazole (PubChem CID 89002773) has the molecular formula C11H8Cl2F3NO and a molecular weight of 298.09 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-3-methyl-5-(trifluoromethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-3-methyl-5-(trifluoromethyl)-4H-1,2-oxazole
PubChem CID89002773
Molecular FormulaC11H8Cl2F3NO
Molecular Weight298.09 g/mol
Exact Mass296.99
IUPAC Name5-(3,5-dichlorophenyl)-3-methyl-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESCC1=NOC(c2cc(Cl)cc(Cl)c2)(C(F)(F)F)C1
InChIInChI=1S/C11H8Cl2F3NO/c1-6-5-10(18-17-6,11(14,15)16)7-2-8(12)4-9(13)3-7/h2-4H,5H2,1H3
InChIKeyDSGRJEPDEOCZTL-UHFFFAOYSA-N
XLogP4.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.09
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-3-methyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The IUPAC name of 5-(3,5-dichlorophenyl)-3-methyl-5-(trifluoromethyl)-4H-1,2-oxazole (CID 89002773) is 5-(3,5-dichlorophenyl)-3-methyl-5-(trifluoromethyl)-4H-1,2-oxazole.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-3-methyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The canonical SMILES for 5-(3,5-dichlorophenyl)-3-methyl-5-(trifluoromethyl)-4H-1,2-oxazole is CC1=NOC(c2cc(Cl)cc(Cl)c2)(C(F)(F)F)C1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-3-methyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The InChIKey is DSGRJEPDEOCZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3NO/c1-6-5-10(18-17-6,11(14,15)16)7-2-8(12)4-9(13)3-7/h2-4H,5H2,1H3.
What are the key properties of 5-(3,5-dichlorophenyl)-3-methyl-5-(trifluoromethyl)-4H-1,2-oxazole?
5-(3,5-dichlorophenyl)-3-methyl-5-(trifluoromethyl)-4H-1,2-oxazole has a molecular weight of 298.09 g/mol, XLogP of 4.55, 1 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-methyl-5-(trifluoromethyl)-4H-1,2-oxazole is sourced from PubChem (CID 89002773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).