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

C10H6Cl2F3NO — CID 141183529

IUPAC5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC=NO1
InChIInChI=1S/C10H6Cl2F3NO/c11-7-3-6(4-8(12)5-7)9(10(13,14)15)1-2-16-17-9/h2-5H,1H2
InChIKeyLVEAOSHTBPZPQS-UHFFFAOYSA-N
MW284.06 g/mol
LogP4.16
Rot. Bonds1

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

5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole (PubChem CID 141183529) has the molecular formula C10H6Cl2F3NO and a molecular weight of 284.06 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
PubChem CID141183529
Molecular FormulaC10H6Cl2F3NO
Molecular Weight284.06 g/mol
Exact Mass282.98
IUPAC Name5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC=NO1
InChIInChI=1S/C10H6Cl2F3NO/c11-7-3-6(4-8(12)5-7)9(10(13,14)15)1-2-16-17-9/h2-5H,1H2
InChIKeyLVEAOSHTBPZPQS-UHFFFAOYSA-N
XLogP4.16
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.06
LogP ≤ 54.16
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)-5-(trifluoromethyl)-4H-1,2-oxazole?
The IUPAC name of 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole (CID 141183529) is 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The canonical SMILES for 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole is FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC=NO1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The InChIKey is LVEAOSHTBPZPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F3NO/c11-7-3-6(4-8(12)5-7)9(10(13,14)15)1-2-16-17-9/h2-5H,1H2.
What are the key properties of 5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole has a molecular weight of 284.06 g/mol, XLogP of 4.16, 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)-5-(trifluoromethyl)-4H-1,2-oxazole is sourced from PubChem (CID 141183529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).