1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide

C24H23N5O5S — CID 46365852

IUPAC1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide
SMILESCc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(-c5ccno5)c4)CC3)c2)no1
InChIInChI=1S/C24H23N5O5S/c1-16-26-23(28-33-16)19-5-3-7-21(15-19)35(31,32)29-12-9-17(10-13-29)24(30)27-20-6-2-4-18(14-20)22-8-11-25-34-22/h2-8,11,14-15,17H,9-10,12-13H2,1H3,(H,27,30)
InChIKeyAPJXLOWEEFPOJQ-UHFFFAOYSA-N
MW493.55 g/mol
LogP3.74
Rot. Bonds6

About 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide

1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide (PubChem CID 46365852) has the molecular formula C24H23N5O5S and a molecular weight of 493.55 g/mol. Its IUPAC name is 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide
PubChem CID46365852
Molecular FormulaC24H23N5O5S
Molecular Weight493.55 g/mol
Exact Mass493.14
IUPAC Name1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide
SMILESCc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(-c5ccno5)c4)CC3)c2)no1
InChIInChI=1S/C24H23N5O5S/c1-16-26-23(28-33-16)19-5-3-7-21(15-19)35(31,32)29-12-9-17(10-13-29)24(30)27-20-6-2-4-18(14-20)22-8-11-25-34-22/h2-8,11,14-15,17H,9-10,12-13H2,1H3,(H,27,30)
InChIKeyAPJXLOWEEFPOJQ-UHFFFAOYSA-N
XLogP3.74
TPSA131.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide (CID 46365852) is 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide is Cc1nc(-c2cccc(S(=O)(=O)N3CCC(C(=O)Nc4cccc(-c5ccno5)c4)CC3)c2)no1.
What is the InChIKey of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is APJXLOWEEFPOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O5S/c1-16-26-23(28-33-16)19-5-3-7-21(15-19)35(31,32)29-12-9-17(10-13-29)24(30)27-20-6-2-4-18(14-20)22-8-11-25-34-22/h2-8,11,14-15,17H,9-10,12-13H2,1H3,(H,27,30).
What are the key properties of 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide?
1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 493.55 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 46365852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).