3-(4-chlorophenyl)-5-[3-(methoxymethyl)-5-methylphenyl]-5-(trifluoromethyl)-2H-1,2-oxazole

C19H17ClF3NO2 — CID 90703758

IUPAC3-(4-chlorophenyl)-5-[3-(methoxymethyl)-5-methylphenyl]-5-(trifluoromethyl)-2H-1,2-oxazole
SMILESCOCc1cc(C)cc(C2(C(F)(F)F)C=C(c3ccc(Cl)cc3)NO2)c1
InChIInChI=1S/C19H17ClF3NO2/c1-12-7-13(11-25-2)9-15(8-12)18(19(21,22)23)10-17(24-26-18)14-3-5-16(20)6-4-14/h3-10,24H,11H2,1-2H3
InChIKeyPCVRBVRUUXYSKZ-UHFFFAOYSA-N
MW383.80 g/mol
LogP5.13
Rot. Bonds4

About 3-(4-chlorophenyl)-5-[3-(methoxymethyl)-5-methylphenyl]-5-(trifluoromethyl)-2H-1,2-oxazole

3-(4-chlorophenyl)-5-[3-(methoxymethyl)-5-methylphenyl]-5-(trifluoromethyl)-2H-1,2-oxazole (PubChem CID 90703758) has the molecular formula C19H17ClF3NO2 and a molecular weight of 383.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[3-(methoxymethyl)-5-methylphenyl]-5-(trifluoromethyl)-2H-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[3-(methoxymethyl)-5-methylphenyl]-5-(trifluoromethyl)-2H-1,2-oxazole
PubChem CID90703758
Molecular FormulaC19H17ClF3NO2
Molecular Weight383.80 g/mol
Exact Mass383.09
IUPAC Name3-(4-chlorophenyl)-5-[3-(methoxymethyl)-5-methylphenyl]-5-(trifluoromethyl)-2H-1,2-oxazole
SMILESCOCc1cc(C)cc(C2(C(F)(F)F)C=C(c3ccc(Cl)cc3)NO2)c1
InChIInChI=1S/C19H17ClF3NO2/c1-12-7-13(11-25-2)9-15(8-12)18(19(21,22)23)10-17(24-26-18)14-3-5-16(20)6-4-14/h3-10,24H,11H2,1-2H3
InChIKeyPCVRBVRUUXYSKZ-UHFFFAOYSA-N
XLogP5.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.80
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[3-(methoxymethyl)-5-methylphenyl]-5-(trifluoromethyl)-2H-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[3-(methoxymethyl)-5-methylphenyl]-5-(trifluoromethyl)-2H-1,2-oxazole (CID 90703758) is 3-(4-chlorophenyl)-5-[3-(methoxymethyl)-5-methylphenyl]-5-(trifluoromethyl)-2H-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[3-(methoxymethyl)-5-methylphenyl]-5-(trifluoromethyl)-2H-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[3-(methoxymethyl)-5-methylphenyl]-5-(trifluoromethyl)-2H-1,2-oxazole is COCc1cc(C)cc(C2(C(F)(F)F)C=C(c3ccc(Cl)cc3)NO2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[3-(methoxymethyl)-5-methylphenyl]-5-(trifluoromethyl)-2H-1,2-oxazole?
The InChIKey is PCVRBVRUUXYSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3NO2/c1-12-7-13(11-25-2)9-15(8-12)18(19(21,22)23)10-17(24-26-18)14-3-5-16(20)6-4-14/h3-10,24H,11H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-5-[3-(methoxymethyl)-5-methylphenyl]-5-(trifluoromethyl)-2H-1,2-oxazole?
3-(4-chlorophenyl)-5-[3-(methoxymethyl)-5-methylphenyl]-5-(trifluoromethyl)-2H-1,2-oxazole has a molecular weight of 383.80 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[3-(methoxymethyl)-5-methylphenyl]-5-(trifluoromethyl)-2H-1,2-oxazole is sourced from PubChem (CID 90703758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).