5-(3-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole

C15H8ClF3N2O — CID 2726945

IUPAC5-(3-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole
SMILESFC(F)(F)c1ccncc1-c1ncc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C15H8ClF3N2O/c16-10-3-1-2-9(6-10)13-8-21-14(22-13)11-7-20-5-4-12(11)15(17,18)19/h1-8H
InChIKeyHBVIQHQLOHSYCC-UHFFFAOYSA-N
MW324.69 g/mol
LogP5.08
Rot. Bonds2

About 5-(3-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole

5-(3-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole (PubChem CID 2726945) has the molecular formula C15H8ClF3N2O and a molecular weight of 324.69 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole
PubChem CID2726945
Molecular FormulaC15H8ClF3N2O
Molecular Weight324.69 g/mol
Exact Mass324.03
IUPAC Name5-(3-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole
SMILESFC(F)(F)c1ccncc1-c1ncc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C15H8ClF3N2O/c16-10-3-1-2-9(6-10)13-8-21-14(22-13)11-7-20-5-4-12(11)15(17,18)19/h1-8H
InChIKeyHBVIQHQLOHSYCC-UHFFFAOYSA-N
XLogP5.08
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.69
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole?
The IUPAC name of 5-(3-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole (CID 2726945) is 5-(3-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 5-(3-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole?
The canonical SMILES for 5-(3-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole is FC(F)(F)c1ccncc1-c1ncc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 5-(3-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole?
The InChIKey is HBVIQHQLOHSYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2O/c16-10-3-1-2-9(6-10)13-8-21-14(22-13)11-7-20-5-4-12(11)15(17,18)19/h1-8H.
What are the key properties of 5-(3-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole?
5-(3-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole has a molecular weight of 324.69 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 2726945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).