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

C25H26F3N5O2S — CID 68744364

IUPAC1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(-c3cc(C4=CCCC=C4)on3)cs2)CC1
InChIInChI=1S/C25H26F3N5O2S/c1-2-18-12-22(25(26,27)28)30-33(18)14-23(34)32-10-8-17(9-11-32)24-29-20(15-36-24)19-13-21(35-31-19)16-6-4-3-5-7-16/h4,6-7,12-13,15,17H,2-3,5,8-11,14H2,1H3
InChIKeyANAOXJBYDPYGSH-UHFFFAOYSA-N
MW517.58 g/mol
LogP5.72
Rot. Bonds6

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-[5-ethyl-3-(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-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 68744364) has the molecular formula C25H26F3N5O2S and a molecular weight of 517.58 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-[5-ethyl-3-(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-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID68744364
Molecular FormulaC25H26F3N5O2S
Molecular Weight517.58 g/mol
Exact Mass517.18
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-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(-c3cc(C4=CCCC=C4)on3)cs2)CC1
InChIInChI=1S/C25H26F3N5O2S/c1-2-18-12-22(25(26,27)28)30-33(18)14-23(34)32-10-8-17(9-11-32)24-29-20(15-36-24)19-13-21(35-31-19)16-6-4-3-5-7-16/h4,6-7,12-13,15,17H,2-3,5,8-11,14H2,1H3
InChIKeyANAOXJBYDPYGSH-UHFFFAOYSA-N
XLogP5.72
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.58
LogP ≤ 55.72
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-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone with MolForge

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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-[5-ethyl-3-(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-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 68744364) 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-[5-ethyl-3-(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-[5-ethyl-3-(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-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone is CCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(-c3cc(C4=CCCC=C4)on3)cs2)CC1.
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-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is ANAOXJBYDPYGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2S/c1-2-18-12-22(25(26,27)28)30-33(18)14-23(34)32-10-8-17(9-11-32)24-29-20(15-36-24)19-13-21(35-31-19)16-6-4-3-5-7-16/h4,6-7,12-13,15,17H,2-3,5,8-11,14H2,1H3.
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-[5-ethyl-3-(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-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 517.58 g/mol, XLogP of 5.72, 6 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-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 68744364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).