ethyl 1-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylpiperidine-4-carboxylate

C23H24N2O5S — CID 19258795

IUPACethyl 1-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ncc(-c4ccccc4)o3)cc2)CC1
InChIInChI=1S/C23H24N2O5S/c1-2-29-23(26)19-12-14-25(15-13-19)31(27,28)20-10-8-18(9-11-20)22-24-16-21(30-22)17-6-4-3-5-7-17/h3-11,16,19H,2,12-15H2,1H3
InChIKeyJMAXEYYJJFPTSA-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.97
Rot. Bonds6

About ethyl 1-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylpiperidine-4-carboxylate

ethyl 1-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylpiperidine-4-carboxylate (PubChem CID 19258795) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is ethyl 1-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylpiperidine-4-carboxylate
PubChem CID19258795
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Nameethyl 1-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ncc(-c4ccccc4)o3)cc2)CC1
InChIInChI=1S/C23H24N2O5S/c1-2-29-23(26)19-12-14-25(15-13-19)31(27,28)20-10-8-18(9-11-20)22-24-16-21(30-22)17-6-4-3-5-7-17/h3-11,16,19H,2,12-15H2,1H3
InChIKeyJMAXEYYJJFPTSA-UHFFFAOYSA-N
XLogP3.97
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfonylpiperidine-4-carboxylate
CID 20958781
5-phenyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole
CID 19258655
ethyl 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 1167102
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 46688863
ethyl 1-[5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carbonyl]piperidine-4-carboxylate
CID 50837293
ethyl 1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxylate
CID 822460
2-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-5-phenyl-1,3-oxazole
CID 19258827
ethyl 1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxylate
CID 54934456
ethyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 3816303
(5-phenyl-1,3-oxazol-2-yl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 30443655
prop-2-ynyl 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 51173015
ethyl 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate
CID 3761247

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylpiperidine-4-carboxylate (CID 19258795) is ethyl 1-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylpiperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ncc(-c4ccccc4)o3)cc2)CC1.
What is the InChIKey of ethyl 1-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylpiperidine-4-carboxylate?
The InChIKey is JMAXEYYJJFPTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-2-29-23(26)19-12-14-25(15-13-19)31(27,28)20-10-8-18(9-11-20)22-24-16-21(30-22)17-6-4-3-5-7-17/h3-11,16,19H,2,12-15H2,1H3.
What are the key properties of ethyl 1-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylpiperidine-4-carboxylate?
ethyl 1-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylpiperidine-4-carboxylate has a molecular weight of 440.52 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 19258795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).