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

C10H5Cl3F3NO — CID 58497965

IUPAC3-chloro-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(Cl)=NO1
InChIInChI=1S/C10H5Cl3F3NO/c11-6-1-5(2-7(12)3-6)9(10(14,15)16)4-8(13)17-18-9/h1-3H,4H2
InChIKeyYGYZVSQWZUCURV-UHFFFAOYSA-N
MW318.51 g/mol
LogP4.72
Rot. Bonds1

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

3-chloro-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole (PubChem CID 58497965) has the molecular formula C10H5Cl3F3NO and a molecular weight of 318.51 g/mol. Its IUPAC name is 3-chloro-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name3-chloro-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
PubChem CID58497965
Molecular FormulaC10H5Cl3F3NO
Molecular Weight318.51 g/mol
Exact Mass316.94
IUPAC Name3-chloro-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(Cl)=NO1
InChIInChI=1S/C10H5Cl3F3NO/c11-6-1-5(2-7(12)3-6)9(10(14,15)16)4-8(13)17-18-9/h1-3H,4H2
InChIKeyYGYZVSQWZUCURV-UHFFFAOYSA-N
XLogP4.72
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The IUPAC name of 3-chloro-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole (CID 58497965) is 3-chloro-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole.
What is the SMILES notation for 3-chloro-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The canonical SMILES for 3-chloro-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole is FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(Cl)=NO1.
What is the InChIKey of 3-chloro-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The InChIKey is YGYZVSQWZUCURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3F3NO/c11-6-1-5(2-7(12)3-6)9(10(14,15)16)4-8(13)17-18-9/h1-3H,4H2.
What are the key properties of 3-chloro-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
3-chloro-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole has a molecular weight of 318.51 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole is sourced from PubChem (CID 58497965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).