3-(6-chloro-3-pyridinyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole

C15H8Cl3F3N2O — CID 87266457

IUPAC3-(6-chloro-3-pyridinyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c2ccc(Cl)nc2)=NO1
InChIInChI=1S/C15H8Cl3F3N2O/c16-10-3-9(4-11(17)5-10)14(15(19,20)21)6-12(23-24-14)8-1-2-13(18)22-7-8/h1-5,7H,6H2
InChIKeyOUWMTLLKRIAOLV-UHFFFAOYSA-N
MW395.60 g/mol
LogP5.62
Rot. Bonds2

About 3-(6-chloro-3-pyridinyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole

3-(6-chloro-3-pyridinyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole (PubChem CID 87266457) has the molecular formula C15H8Cl3F3N2O and a molecular weight of 395.60 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
PubChem CID87266457
Molecular FormulaC15H8Cl3F3N2O
Molecular Weight395.60 g/mol
Exact Mass393.97
IUPAC Name3-(6-chloro-3-pyridinyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c2ccc(Cl)nc2)=NO1
InChIInChI=1S/C15H8Cl3F3N2O/c16-10-3-9(4-11(17)5-10)14(15(19,20)21)6-12(23-24-14)8-1-2-13(18)22-7-8/h1-5,7H,6H2
InChIKeyOUWMTLLKRIAOLV-UHFFFAOYSA-N
XLogP5.62
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.60
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-pyridinyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole (CID 87266457) is 3-(6-chloro-3-pyridinyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole is FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CC(c2ccc(Cl)nc2)=NO1.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The InChIKey is OUWMTLLKRIAOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3F3N2O/c16-10-3-9(4-11(17)5-10)14(15(19,20)21)6-12(23-24-14)8-1-2-13(18)22-7-8/h1-5,7H,6H2.
What are the key properties of 3-(6-chloro-3-pyridinyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
3-(6-chloro-3-pyridinyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole has a molecular weight of 395.60 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazole is sourced from PubChem (CID 87266457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).