1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-methylpiperidine-4-carboxamide

C19H22FN3O4S — CID 20969687

IUPAC1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccccc2F)CC1
InChIInChI=1S/C19H22FN3O4S/c1-13-18(17(27-22-13)8-7-14-5-3-4-6-16(14)20)28(25,26)23-11-9-15(10-12-23)19(24)21-2/h3-8,15H,9-12H2,1-2H3,(H,21,24)/b8-7+
InChIKeyARMREJRAINYWQB-BQYQJAHWSA-N
MW407.47 g/mol
LogP2.44
Rot. Bonds5

About 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-methylpiperidine-4-carboxamide

1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-methylpiperidine-4-carboxamide (PubChem CID 20969687) has the molecular formula C19H22FN3O4S and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-methylpiperidine-4-carboxamide
PubChem CID20969687
Molecular FormulaC19H22FN3O4S
Molecular Weight407.47 g/mol
Exact Mass407.13
IUPAC Name1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccccc2F)CC1
InChIInChI=1S/C19H22FN3O4S/c1-13-18(17(27-22-13)8-7-14-5-3-4-6-16(14)20)28(25,26)23-11-9-15(10-12-23)19(24)21-2/h3-8,15H,9-12H2,1-2H3,(H,21,24)/b8-7+
InChIKeyARMREJRAINYWQB-BQYQJAHWSA-N
XLogP2.44
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-methylpiperidine-4-carboxamide (CID 20969687) is 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccccc2F)CC1.
What is the InChIKey of 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is ARMREJRAINYWQB-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H22FN3O4S/c1-13-18(17(27-22-13)8-7-14-5-3-4-6-16(14)20)28(25,26)23-11-9-15(10-12-23)19(24)21-2/h3-8,15H,9-12H2,1-2H3,(H,21,24)/b8-7+.
What are the key properties of 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-methylpiperidine-4-carboxamide?
1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 20969687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).