1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone

C24H24F3N5O2S — CID 68742994

IUPAC1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCc1cc(C(F)(F)F)n(CC(=O)N2CCC(c3nc(-c4cc(C5=CCCC=C5)on4)cs3)CC2)n1
InChIInChI=1S/C24H24F3N5O2S/c1-15-11-21(24(25,26)27)32(29-15)13-22(33)31-9-7-17(8-10-31)23-28-19(14-35-23)18-12-20(34-30-18)16-5-3-2-4-6-16/h3,5-6,11-12,14,17H,2,4,7-10,13H2,1H3
InChIKeyKWEUBYDJSAEWON-UHFFFAOYSA-N
MW503.55 g/mol
LogP5.46
Rot. Bonds5

About 1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone

1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 68742994) has the molecular formula C24H24F3N5O2S and a molecular weight of 503.55 g/mol. Its IUPAC name is 1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID68742994
Molecular FormulaC24H24F3N5O2S
Molecular Weight503.55 g/mol
Exact Mass503.16
IUPAC Name1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCc1cc(C(F)(F)F)n(CC(=O)N2CCC(c3nc(-c4cc(C5=CCCC=C5)on4)cs3)CC2)n1
InChIInChI=1S/C24H24F3N5O2S/c1-15-11-21(24(25,26)27)32(29-15)13-22(33)31-9-7-17(8-10-31)23-28-19(14-35-23)18-12-20(34-30-18)16-5-3-2-4-6-16/h3,5-6,11-12,14,17H,2,4,7-10,13H2,1H3
InChIKeyKWEUBYDJSAEWON-UHFFFAOYSA-N
XLogP5.46
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.55
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 68742994) is 1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone is Cc1cc(C(F)(F)F)n(CC(=O)N2CCC(c3nc(-c4cc(C5=CCCC=C5)on4)cs3)CC2)n1.
What is the InChIKey of 1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is KWEUBYDJSAEWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O2S/c1-15-11-21(24(25,26)27)32(29-15)13-22(33)31-9-7-17(8-10-31)23-28-19(14-35-23)18-12-20(34-30-18)16-5-3-2-4-6-16/h3,5-6,11-12,14,17H,2,4,7-10,13H2,1H3.
What are the key properties of 1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 503.55 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 68742994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).