1-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

C23H24ClN3O5S — CID 18826265

IUPAC1-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESCCOc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCC(C(N)=O)CC3)o2)cc1
InChIInChI=1S/C23H24ClN3O5S/c1-2-31-18-7-3-16(4-8-18)21-26-22(33(29,30)19-9-5-17(24)6-10-19)23(32-21)27-13-11-15(12-14-27)20(25)28/h3-10,15H,2,11-14H2,1H3,(H2,25,28)
InChIKeyVNQXTWFBPBQDGH-UHFFFAOYSA-N
MW489.98 g/mol
LogP3.93
Rot. Bonds7

About 1-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

1-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (PubChem CID 18826265) has the molecular formula C23H24ClN3O5S and a molecular weight of 489.98 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
PubChem CID18826265
Molecular FormulaC23H24ClN3O5S
Molecular Weight489.98 g/mol
Exact Mass489.11
IUPAC Name1-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESCCOc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCC(C(N)=O)CC3)o2)cc1
InChIInChI=1S/C23H24ClN3O5S/c1-2-31-18-7-3-16(4-8-18)21-26-22(33(29,30)19-9-5-17(24)6-10-19)23(32-21)27-13-11-15(12-14-27)20(25)28/h3-10,15H,2,11-14H2,1H3,(H2,25,28)
InChIKeyVNQXTWFBPBQDGH-UHFFFAOYSA-N
XLogP3.93
TPSA115.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.98
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (CID 18826265) is 1-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is CCOc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCC(C(N)=O)CC3)o2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The InChIKey is VNQXTWFBPBQDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O5S/c1-2-31-18-7-3-16(4-8-18)21-26-22(33(29,30)19-9-5-17(24)6-10-19)23(32-21)27-13-11-15(12-14-27)20(25)28/h3-10,15H,2,11-14H2,1H3,(H2,25,28).
What are the key properties of 1-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
1-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide has a molecular weight of 489.98 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 18826265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).