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

C26H35FN4O5S — CID 92875152

IUPAC1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2S)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide
SMILESCC[C@@H](CN1CCOCC1)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccccc2F)CC1
InChIInChI=1S/C26H35FN4O5S/c1-3-22(18-30-14-16-35-17-15-30)28-26(32)21-10-12-31(13-11-21)37(33,34)25-19(2)29-36-24(25)9-8-20-6-4-5-7-23(20)27/h4-9,21-22H,3,10-18H2,1-2H3,(H,28,32)/b9-8+/t22-/m0/s1
InChIKeyQHXVHFRZDJJKOT-UVIRAJKCSA-N
MW534.65 g/mol
LogP2.92
Rot. Bonds9

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

1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2S)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide (PubChem CID 92875152) has the molecular formula C26H35FN4O5S and a molecular weight of 534.65 g/mol. Its IUPAC name is 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2S)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2S)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide
PubChem CID92875152
Molecular FormulaC26H35FN4O5S
Molecular Weight534.65 g/mol
Exact Mass534.23
IUPAC Name1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2S)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide
SMILESCC[C@@H](CN1CCOCC1)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C/c2ccccc2F)CC1
InChIInChI=1S/C26H35FN4O5S/c1-3-22(18-30-14-16-35-17-15-30)28-26(32)21-10-12-31(13-11-21)37(33,34)25-19(2)29-36-24(25)9-8-20-6-4-5-7-23(20)27/h4-9,21-22H,3,10-18H2,1-2H3,(H,28,32)/b9-8+/t22-/m0/s1
InChIKeyQHXVHFRZDJJKOT-UVIRAJKCSA-N
XLogP2.92
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.65
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2S)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 46351618
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
1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 20969669
1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 92892672
N-[(2S)-butan-2-yl]-1-[[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide
CID 92875161
1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 46351689
N-(5-chloro-2-methylphenyl)-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide
CID 46351569
1-[[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 46351872
N-[3-(dimethylamino)-4-methylphenyl]-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide
CID 46351681
N-(2,4-dimethoxyphenyl)-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide
CID 46351547
1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 46351664
1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46351635

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-[(2S)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2S)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide (CID 92875152) is 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2S)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2S)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2S)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide is CC[C@@H](CN1CCOCC1)NC(=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-[(2S)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide?
The InChIKey is QHXVHFRZDJJKOT-UVIRAJKCSA-N. The full InChI is InChI=1S/C26H35FN4O5S/c1-3-22(18-30-14-16-35-17-15-30)28-26(32)21-10-12-31(13-11-21)37(33,34)25-19(2)29-36-24(25)9-8-20-6-4-5-7-23(20)27/h4-9,21-22H,3,10-18H2,1-2H3,(H,28,32)/b9-8+/t22-/m0/s1.
What are the key properties of 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2S)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide?
1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2S)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide has a molecular weight of 534.65 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 7 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-[(2S)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 92875152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).