cyclobutyl-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-thiazolidin-3-yl]methanone

C17H16F3N3O2S — CID 167772892

IUPACcyclobutyl-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-thiazolidin-3-yl]methanone
SMILESO=C(C1CCC1)N1CSCC1c1nnc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C17H16F3N3O2S/c18-17(19,20)12-6-2-5-11(7-12)14-21-22-15(25-14)13-8-26-9-23(13)16(24)10-3-1-4-10/h2,5-7,10,13H,1,3-4,8-9H2
InChIKeyHMDGVSAERYWAME-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.13
Rot. Bonds3

About cyclobutyl-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-thiazolidin-3-yl]methanone

cyclobutyl-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-thiazolidin-3-yl]methanone (PubChem CID 167772892) has the molecular formula C17H16F3N3O2S and a molecular weight of 383.40 g/mol. Its IUPAC name is cyclobutyl-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-thiazolidin-3-yl]methanone
PubChem CID167772892
Molecular FormulaC17H16F3N3O2S
Molecular Weight383.40 g/mol
Exact Mass383.09
IUPAC Namecyclobutyl-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-thiazolidin-3-yl]methanone
SMILESO=C(C1CCC1)N1CSCC1c1nnc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C17H16F3N3O2S/c18-17(19,20)12-6-2-5-11(7-12)14-21-22-15(25-14)13-8-26-9-23(13)16(24)10-3-1-4-10/h2,5-7,10,13H,1,3-4,8-9H2
InChIKeyHMDGVSAERYWAME-UHFFFAOYSA-N
XLogP4.13
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of cyclobutyl-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-thiazolidin-3-yl]methanone (CID 167772892) is cyclobutyl-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-thiazolidin-3-yl]methanone is O=C(C1CCC1)N1CSCC1c1nnc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of cyclobutyl-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-thiazolidin-3-yl]methanone?
The InChIKey is HMDGVSAERYWAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2S/c18-17(19,20)12-6-2-5-11(7-12)14-21-22-15(25-14)13-8-26-9-23(13)16(24)10-3-1-4-10/h2,5-7,10,13H,1,3-4,8-9H2.
What are the key properties of cyclobutyl-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-thiazolidin-3-yl]methanone?
cyclobutyl-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-thiazolidin-3-yl]methanone has a molecular weight of 383.40 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 167772892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).