N,N-diethyl-1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide

C20H27N3O5S — CID 20969759

IUPACN,N-diethyl-1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccco2)CC1
InChIInChI=1S/C20H27N3O5S/c1-4-22(5-2)20(24)16-10-12-23(13-11-16)29(25,26)19-15(3)21-28-18(19)9-8-17-7-6-14-27-17/h6-9,14,16H,4-5,10-13H2,1-3H3/b9-8+
InChIKeyIRNLYZURYKWUGK-CMDGGOBGSA-N
MW421.52 g/mol
LogP3.02
Rot. Bonds7

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

N,N-diethyl-1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide (PubChem CID 20969759) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is N,N-diethyl-1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide
PubChem CID20969759
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC NameN,N-diethyl-1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccco2)CC1
InChIInChI=1S/C20H27N3O5S/c1-4-22(5-2)20(24)16-10-12-23(13-11-16)29(25,26)19-15(3)21-28-18(19)9-8-17-7-6-14-27-17/h6-9,14,16H,4-5,10-13H2,1-3H3/b9-8+
InChIKeyIRNLYZURYKWUGK-CMDGGOBGSA-N
XLogP3.02
TPSA96.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 20969724
1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 20858572
1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(1S,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 92662199
N-(4-acetylphenyl)-1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide
CID 20858526
1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 20858553
N-cyclopentyl-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 46351699
N-methyl-1-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 46351494
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-ethylpiperidine-4-carboxamide
CID 55413369
N-ethyl-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 22576724
N-[2-(dimethylamino)ethyl]-N-ethyl-1-[[3-methyl-5-[(E)-2-(4-methylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 46351995
N-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 15992054
1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]piperidine-4-carboxamide
CID 92875149

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide (CID 20969759) is N,N-diethyl-1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccco2)CC1.
What is the InChIKey of N,N-diethyl-1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide?
The InChIKey is IRNLYZURYKWUGK-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-4-22(5-2)20(24)16-10-12-23(13-11-16)29(25,26)19-15(3)21-28-18(19)9-8-17-7-6-14-27-17/h6-9,14,16H,4-5,10-13H2,1-3H3/b9-8+.
What are the key properties of N,N-diethyl-1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide?
N,N-diethyl-1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[[5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 20969759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).