1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone

C27H24F3N3O3S — CID 5156786

IUPAC1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone
SMILESCc1onc(-c2ccccc2)c1-c1csc(C2CCN(C(=O)Cc3ccccc3OC(F)(F)F)CC2)n1
InChIInChI=1S/C27H24F3N3O3S/c1-17-24(25(32-36-17)18-7-3-2-4-8-18)21-16-37-26(31-21)19-11-13-33(14-12-19)23(34)15-20-9-5-6-10-22(20)35-27(28,29)30/h2-10,16,19H,11-15H2,1H3
InChIKeyBFXUPHYFIPELSZ-UHFFFAOYSA-N
MW527.57 g/mol
LogP6.62
Rot. Bonds6

About 1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone

1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone (PubChem CID 5156786) has the molecular formula C27H24F3N3O3S and a molecular weight of 527.57 g/mol. Its IUPAC name is 1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone
PubChem CID5156786
Molecular FormulaC27H24F3N3O3S
Molecular Weight527.57 g/mol
Exact Mass527.15
IUPAC Name1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone
SMILESCc1onc(-c2ccccc2)c1-c1csc(C2CCN(C(=O)Cc3ccccc3OC(F)(F)F)CC2)n1
InChIInChI=1S/C27H24F3N3O3S/c1-17-24(25(32-36-17)18-7-3-2-4-8-18)21-16-37-26(31-21)19-11-13-33(14-12-19)23(34)15-20-9-5-6-10-22(20)35-27(28,29)30/h2-10,16,19H,11-15H2,1H3
InChIKeyBFXUPHYFIPELSZ-UHFFFAOYSA-N
XLogP6.62
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.57
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone?
The IUPAC name of 1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone (CID 5156786) is 1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone is Cc1onc(-c2ccccc2)c1-c1csc(C2CCN(C(=O)Cc3ccccc3OC(F)(F)F)CC2)n1.
What is the InChIKey of 1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone?
The InChIKey is BFXUPHYFIPELSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N3O3S/c1-17-24(25(32-36-17)18-7-3-2-4-8-18)21-16-37-26(31-21)19-11-13-33(14-12-19)23(34)15-20-9-5-6-10-22(20)35-27(28,29)30/h2-10,16,19H,11-15H2,1H3.
What are the key properties of 1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone?
1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone has a molecular weight of 527.57 g/mol, XLogP of 6.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[2-(trifluoromethoxy)phenyl]ethanone is sourced from PubChem (CID 5156786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).