4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide

C26H26F2N4O2S — CID 68775136

IUPAC4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCC(c3nc(C4=NOC(c5c(F)cccc5F)C4)cs3)CC2)c1
InChIInChI=1S/C26H26F2N4O2S/c1-15-6-7-16(2)20(12-15)30-26(33)32-10-8-17(9-11-32)25-29-22(14-35-25)21-13-23(34-31-21)24-18(27)4-3-5-19(24)28/h3-7,12,14,17,23H,8-11,13H2,1-2H3,(H,30,33)
InChIKeyHZHUCGKCKLULMC-UHFFFAOYSA-N
MW496.58 g/mol
LogP6.32
Rot. Bonds4

About 4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide

4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide (PubChem CID 68775136) has the molecular formula C26H26F2N4O2S and a molecular weight of 496.58 g/mol. Its IUPAC name is 4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide
PubChem CID68775136
Molecular FormulaC26H26F2N4O2S
Molecular Weight496.58 g/mol
Exact Mass496.17
IUPAC Name4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCC(c3nc(C4=NOC(c5c(F)cccc5F)C4)cs3)CC2)c1
InChIInChI=1S/C26H26F2N4O2S/c1-15-6-7-16(2)20(12-15)30-26(33)32-10-8-17(9-11-32)25-29-22(14-35-25)21-13-23(34-31-21)24-18(27)4-3-5-19(24)28/h3-7,12,14,17,23H,8-11,13H2,1-2H3,(H,30,33)
InChIKeyHZHUCGKCKLULMC-UHFFFAOYSA-N
XLogP6.32
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.58
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide (CID 68775136) is 4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide is Cc1ccc(C)c(NC(=O)N2CCC(c3nc(C4=NOC(c5c(F)cccc5F)C4)cs3)CC2)c1.
What is the InChIKey of 4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide?
The InChIKey is HZHUCGKCKLULMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O2S/c1-15-6-7-16(2)20(12-15)30-26(33)32-10-8-17(9-11-32)25-29-22(14-35-25)21-13-23(34-31-21)24-18(27)4-3-5-19(24)28/h3-7,12,14,17,23H,8-11,13H2,1-2H3,(H,30,33).
What are the key properties of 4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide?
4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide has a molecular weight of 496.58 g/mol, XLogP of 6.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 68775136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).