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

C25H25N5O5S — CID 50764420

IUPAC1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide
SMILESCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)Nc4cccc(-c5ccno5)c4)CC3)c2)no1
InChIInChI=1S/C25H25N5O5S/c1-16-6-7-20(24-27-17(2)34-29-24)15-23(16)36(32,33)30-12-9-18(10-13-30)25(31)28-21-5-3-4-19(14-21)22-8-11-26-35-22/h3-8,11,14-15,18H,9-10,12-13H2,1-2H3,(H,28,31)
InChIKeyWRWZUKKMGGSLAS-UHFFFAOYSA-N
MW507.57 g/mol
LogP4.05
Rot. Bonds6

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

1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide (PubChem CID 50764420) has the molecular formula C25H25N5O5S and a molecular weight of 507.57 g/mol. Its IUPAC name is 1-[2-methyl-5-(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-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide
PubChem CID50764420
Molecular FormulaC25H25N5O5S
Molecular Weight507.57 g/mol
Exact Mass507.16
IUPAC Name1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide
SMILESCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)Nc4cccc(-c5ccno5)c4)CC3)c2)no1
InChIInChI=1S/C25H25N5O5S/c1-16-6-7-20(24-27-17(2)34-29-24)15-23(16)36(32,33)30-12-9-18(10-13-30)25(31)28-21-5-3-4-19(14-21)22-8-11-26-35-22/h3-8,11,14-15,18H,9-10,12-13H2,1-2H3,(H,28,31)
InChIKeyWRWZUKKMGGSLAS-UHFFFAOYSA-N
XLogP4.05
TPSA131.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.57
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(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-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide (CID 50764420) is 1-[2-methyl-5-(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-[2-methyl-5-(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-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide is Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)Nc4cccc(-c5ccno5)c4)CC3)c2)no1.
What is the InChIKey of 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is WRWZUKKMGGSLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O5S/c1-16-6-7-20(24-27-17(2)34-29-24)15-23(16)36(32,33)30-12-9-18(10-13-30)25(31)28-21-5-3-4-19(14-21)22-8-11-26-35-22/h3-8,11,14-15,18H,9-10,12-13H2,1-2H3,(H,28,31).
What are the key properties of 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[3-(1,2-oxazol-5-yl)phenyl]piperidine-4-carboxamide?
1-[2-methyl-5-(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 507.57 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(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 50764420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).