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

C23H28FN3O5S — CID 92892672

IUPAC1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESCc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NC[C@H]2CCCO2)CC1
InChIInChI=1S/C23H28FN3O5S/c1-16-22(21(32-26-16)9-8-17-5-2-3-7-20(17)24)33(29,30)27-12-10-18(11-13-27)23(28)25-15-19-6-4-14-31-19/h2-3,5,7-9,18-19H,4,6,10-15H2,1H3,(H,25,28)/b9-8+/t19-/m1/s1
InChIKeyZKIHGKXZABQZCQ-CSHXORCISA-N
MW477.56 g/mol
LogP2.99
Rot. Bonds7

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

1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 92892672) has the molecular formula C23H28FN3O5S and a molecular weight of 477.56 g/mol. Its IUPAC name is 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
PubChem CID92892672
Molecular FormulaC23H28FN3O5S
Molecular Weight477.56 g/mol
Exact Mass477.17
IUPAC Name1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESCc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NC[C@H]2CCCO2)CC1
InChIInChI=1S/C23H28FN3O5S/c1-16-22(21(32-26-16)9-8-17-5-2-3-7-20(17)24)33(29,30)27-12-10-18(11-13-27)23(28)25-15-19-6-4-14-31-19/h2-3,5,7-9,18-19H,4,6,10-15H2,1H3,(H,25,28)/b9-8+/t19-/m1/s1
InChIKeyZKIHGKXZABQZCQ-CSHXORCISA-N
XLogP2.99
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 46351689
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-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46351635
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-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2S)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide
CID 92875152
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
(3R)-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-methylpiperidine-3-carboxamide
CID 92864691
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
(3S)-N-[(4-chlorophenyl)methyl]-1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-3-carboxamide
CID 92864670
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-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 46351972

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-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 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) is 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]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-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide is Cc1noc(/C=C/c2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)NC[C@H]2CCCO2)CC1.
What is the InChIKey of 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is ZKIHGKXZABQZCQ-CSHXORCISA-N. The full InChI is InChI=1S/C23H28FN3O5S/c1-16-22(21(32-26-16)9-8-17-5-2-3-7-20(17)24)33(29,30)27-12-10-18(11-13-27)23(28)25-15-19-6-4-14-31-19/h2-3,5,7-9,18-19H,4,6,10-15H2,1H3,(H,25,28)/b9-8+/t19-/m1/s1.
What are the key properties of 1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 477.56 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 92892672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).