2-[2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-4-yl]-6-(trifluoromethyl)-1,3-benzoxazole

C16H11F3N2O2S — CID 164723763

IUPAC2-[2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-4-yl]-6-(trifluoromethyl)-1,3-benzoxazole
SMILESFC(F)(F)c1ccc2nc(-c3csc(C4=CCOCC4)n3)oc2c1
InChIInChI=1S/C16H11F3N2O2S/c17-16(18,19)10-1-2-11-13(7-10)23-14(20-11)12-8-24-15(21-12)9-3-5-22-6-4-9/h1-3,7-8H,4-6H2
InChIKeyPPQXIPJXWNGFEX-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.77
Rot. Bonds2

About 2-[2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-4-yl]-6-(trifluoromethyl)-1,3-benzoxazole

2-[2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-4-yl]-6-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 164723763) has the molecular formula C16H11F3N2O2S and a molecular weight of 352.34 g/mol. Its IUPAC name is 2-[2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-4-yl]-6-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-4-yl]-6-(trifluoromethyl)-1,3-benzoxazole
PubChem CID164723763
Molecular FormulaC16H11F3N2O2S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC Name2-[2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-4-yl]-6-(trifluoromethyl)-1,3-benzoxazole
SMILESFC(F)(F)c1ccc2nc(-c3csc(C4=CCOCC4)n3)oc2c1
InChIInChI=1S/C16H11F3N2O2S/c17-16(18,19)10-1-2-11-13(7-10)23-14(20-11)12-8-24-15(21-12)9-3-5-22-6-4-9/h1-3,7-8H,4-6H2
InChIKeyPPQXIPJXWNGFEX-UHFFFAOYSA-N
XLogP4.77
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-4-yl]-6-(trifluoromethyl)-1,3-benzoxazole?
The IUPAC name of 2-[2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-4-yl]-6-(trifluoromethyl)-1,3-benzoxazole (CID 164723763) is 2-[2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-4-yl]-6-(trifluoromethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-[2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-4-yl]-6-(trifluoromethyl)-1,3-benzoxazole?
The canonical SMILES for 2-[2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-4-yl]-6-(trifluoromethyl)-1,3-benzoxazole is FC(F)(F)c1ccc2nc(-c3csc(C4=CCOCC4)n3)oc2c1.
What is the InChIKey of 2-[2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-4-yl]-6-(trifluoromethyl)-1,3-benzoxazole?
The InChIKey is PPQXIPJXWNGFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S/c17-16(18,19)10-1-2-11-13(7-10)23-14(20-11)12-8-24-15(21-12)9-3-5-22-6-4-9/h1-3,7-8H,4-6H2.
What are the key properties of 2-[2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-4-yl]-6-(trifluoromethyl)-1,3-benzoxazole?
2-[2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-4-yl]-6-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 352.34 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,6-dihydro-2H-pyran-4-yl)-1,3-thiazol-4-yl]-6-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 164723763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).