1-[4-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanone

C22H23F3N4O3S — CID 67323814

IUPAC1-[4-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanone
SMILESCC(C)Oc1ccc(-c2csc(C3CCN(C(=O)Cc4noc(C(F)(F)F)n4)CC3)n2)cc1
InChIInChI=1S/C22H23F3N4O3S/c1-13(2)31-16-5-3-14(4-6-16)17-12-33-20(26-17)15-7-9-29(10-8-15)19(30)11-18-27-21(32-28-18)22(23,24)25/h3-6,12-13,15H,7-11H2,1-2H3
InChIKeyFEJYEDIIVRSIJJ-UHFFFAOYSA-N
MW480.51 g/mol
LogP4.95
Rot. Bonds6

About 1-[4-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanone

1-[4-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanone (PubChem CID 67323814) has the molecular formula C22H23F3N4O3S and a molecular weight of 480.51 g/mol. Its IUPAC name is 1-[4-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanone
PubChem CID67323814
Molecular FormulaC22H23F3N4O3S
Molecular Weight480.51 g/mol
Exact Mass480.14
IUPAC Name1-[4-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanone
SMILESCC(C)Oc1ccc(-c2csc(C3CCN(C(=O)Cc4noc(C(F)(F)F)n4)CC3)n2)cc1
InChIInChI=1S/C22H23F3N4O3S/c1-13(2)31-16-5-3-14(4-6-16)17-12-33-20(26-17)15-7-9-29(10-8-15)19(30)11-18-27-21(32-28-18)22(23,24)25/h3-6,12-13,15H,7-11H2,1-2H3
InChIKeyFEJYEDIIVRSIJJ-UHFFFAOYSA-N
XLogP4.95
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanone?
The IUPAC name of 1-[4-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanone (CID 67323814) is 1-[4-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanone?
The canonical SMILES for 1-[4-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanone is CC(C)Oc1ccc(-c2csc(C3CCN(C(=O)Cc4noc(C(F)(F)F)n4)CC3)n2)cc1.
What is the InChIKey of 1-[4-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanone?
The InChIKey is FEJYEDIIVRSIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3S/c1-13(2)31-16-5-3-14(4-6-16)17-12-33-20(26-17)15-7-9-29(10-8-15)19(30)11-18-27-21(32-28-18)22(23,24)25/h3-6,12-13,15H,7-11H2,1-2H3.
What are the key properties of 1-[4-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanone?
1-[4-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanone has a molecular weight of 480.51 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethanone is sourced from PubChem (CID 67323814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).