1-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

C18H19F2N3O3S — CID 134026755

IUPAC1-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)c3ccc(SC(F)F)cc3)CC2)no1
InChIInChI=1S/C18H19F2N3O3S/c1-11-10-15(22-26-11)21-16(24)12-6-8-23(9-7-12)17(25)13-2-4-14(5-3-13)27-18(19)20/h2-5,10,12,18H,6-9H2,1H3,(H,21,22,24)
InChIKeySSCFDBPVTOZLIC-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.79
Rot. Bonds5

About 1-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

1-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (PubChem CID 134026755) has the molecular formula C18H19F2N3O3S and a molecular weight of 395.43 g/mol. Its IUPAC name is 1-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
PubChem CID134026755
Molecular FormulaC18H19F2N3O3S
Molecular Weight395.43 g/mol
Exact Mass395.11
IUPAC Name1-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)c3ccc(SC(F)F)cc3)CC2)no1
InChIInChI=1S/C18H19F2N3O3S/c1-11-10-15(22-26-11)21-16(24)12-6-8-23(9-7-12)17(25)13-2-4-14(5-3-13)27-18(19)20/h2-5,10,12,18H,6-9H2,1H3,(H,21,22,24)
InChIKeySSCFDBPVTOZLIC-UHFFFAOYSA-N
XLogP3.79
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-(difluoromethylsulfanyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24620104
N-(5-methyl-1,2-oxazol-3-yl)-1-[4-(2-methylpropanoylamino)benzoyl]piperidine-4-carboxamide
CID 55608113
1-(2,3-dimethylquinoxaline-6-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 51299844
N-(5-methyl-1,2-oxazol-3-yl)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 39702361
1-(2,3-dihydro-1-benzofuran-5-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 86925189
N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 39700752
1-(3,5-dichloro-4-methoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55485465
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
1-N,1-N-dimethyl-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 47136046
1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55788479
1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55485462
N-(5-methyl-1,2-oxazol-3-yl)-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 51300296

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (CID 134026755) is 1-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(SC(F)F)cc3)CC2)no1.
What is the InChIKey of 1-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The InChIKey is SSCFDBPVTOZLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3S/c1-11-10-15(22-26-11)21-16(24)12-6-8-23(9-7-12)17(25)13-2-4-14(5-3-13)27-18(19)20/h2-5,10,12,18H,6-9H2,1H3,(H,21,22,24).
What are the key properties of 1-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
1-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 134026755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).