5-(furan-2-yl)-3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole

C17H16F3N3O2S — CID 126795808

IUPAC5-(furan-2-yl)-3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole
SMILESFC(F)(F)c1csc(C2CCCN(Cc3cc(-c4ccco4)on3)C2)n1
InChIInChI=1S/C17H16F3N3O2S/c18-17(19,20)15-10-26-16(21-15)11-3-1-5-23(8-11)9-12-7-14(25-22-12)13-4-2-6-24-13/h2,4,6-7,10-11H,1,3,5,8-9H2
InChIKeyQNOJTSYAUCQPRB-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.79
Rot. Bonds4

About 5-(furan-2-yl)-3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole

5-(furan-2-yl)-3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 126795808) has the molecular formula C17H16F3N3O2S and a molecular weight of 383.40 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID126795808
Molecular FormulaC17H16F3N3O2S
Molecular Weight383.40 g/mol
Exact Mass383.09
IUPAC Name5-(furan-2-yl)-3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole
SMILESFC(F)(F)c1csc(C2CCCN(Cc3cc(-c4ccco4)on3)C2)n1
InChIInChI=1S/C17H16F3N3O2S/c18-17(19,20)15-10-26-16(21-15)11-3-1-5-23(8-11)9-12-7-14(25-22-12)13-4-2-6-24-13/h2,4,6-7,10-11H,1,3,5,8-9H2
InChIKeyQNOJTSYAUCQPRB-UHFFFAOYSA-N
XLogP4.79
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-(furan-2-yl)-3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole (CID 126795808) is 5-(furan-2-yl)-3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-(furan-2-yl)-3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-(furan-2-yl)-3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole is FC(F)(F)c1csc(C2CCCN(Cc3cc(-c4ccco4)on3)C2)n1.
What is the InChIKey of 5-(furan-2-yl)-3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is QNOJTSYAUCQPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2S/c18-17(19,20)15-10-26-16(21-15)11-3-1-5-23(8-11)9-12-7-14(25-22-12)13-4-2-6-24-13/h2,4,6-7,10-11H,1,3,5,8-9H2.
What are the key properties of 5-(furan-2-yl)-3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole?
5-(furan-2-yl)-3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 383.40 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-[[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 126795808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).