3-(4-chlorophenyl)-5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole

C19H17ClF3NO — CID 173086518

IUPAC3-(4-chlorophenyl)-5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESCCc1cc(C)cc(C2(C(F)(F)F)CC(c3ccc(Cl)cc3)=NO2)c1
InChIInChI=1S/C19H17ClF3NO/c1-3-13-8-12(2)9-15(10-13)18(19(21,22)23)11-17(24-25-18)14-4-6-16(20)7-5-14/h4-10H,3,11H2,1-2H3
InChIKeyLMXINXKFKUCIAU-UHFFFAOYSA-N
MW367.80 g/mol
LogP5.79
Rot. Bonds3

About 3-(4-chlorophenyl)-5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole

3-(4-chlorophenyl)-5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole (PubChem CID 173086518) has the molecular formula C19H17ClF3NO and a molecular weight of 367.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
PubChem CID173086518
Molecular FormulaC19H17ClF3NO
Molecular Weight367.80 g/mol
Exact Mass367.10
IUPAC Name3-(4-chlorophenyl)-5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESCCc1cc(C)cc(C2(C(F)(F)F)CC(c3ccc(Cl)cc3)=NO2)c1
InChIInChI=1S/C19H17ClF3NO/c1-3-13-8-12(2)9-15(10-13)18(19(21,22)23)11-17(24-25-18)14-4-6-16(20)7-5-14/h4-10H,3,11H2,1-2H3
InChIKeyLMXINXKFKUCIAU-UHFFFAOYSA-N
XLogP5.79
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.80
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole (CID 173086518) is 3-(4-chlorophenyl)-5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole is CCc1cc(C)cc(C2(C(F)(F)F)CC(c3ccc(Cl)cc3)=NO2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
The InChIKey is LMXINXKFKUCIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3NO/c1-3-13-8-12(2)9-15(10-13)18(19(21,22)23)11-17(24-25-18)14-4-6-16(20)7-5-14/h4-10H,3,11H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole?
3-(4-chlorophenyl)-5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole has a molecular weight of 367.80 g/mol, XLogP of 5.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazole is sourced from PubChem (CID 173086518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).