(2S)-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2-methyl-5-(4-methylsulfonylphenyl)-3H-furo[2,3-c]pyridine

C26H32N4O4S — CID 71208092

IUPAC(2S)-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2-methyl-5-(4-methylsulfonylphenyl)-3H-furo[2,3-c]pyridine
SMILESCC(C)(C)c1noc(N2CCC([C@]3(C)Cc4cc(-c5ccc(S(C)(=O)=O)cc5)ncc4O3)CC2)n1
InChIInChI=1S/C26H32N4O4S/c1-25(2,3)23-28-24(34-29-23)30-12-10-19(11-13-30)26(4)15-18-14-21(27-16-22(18)33-26)17-6-8-20(9-7-17)35(5,31)32/h6-9,14,16,19H,10-13,15H2,1-5H3/t26-/m0/s1
InChIKeyUKKDSVFWNPHDSH-SANMLTNESA-N
MW496.63 g/mol
LogP4.44
Rot. Bonds4

About (2S)-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2-methyl-5-(4-methylsulfonylphenyl)-3H-furo[2,3-c]pyridine

(2S)-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2-methyl-5-(4-methylsulfonylphenyl)-3H-furo[2,3-c]pyridine (PubChem CID 71208092) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is (2S)-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2-methyl-5-(4-methylsulfonylphenyl)-3H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name(2S)-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2-methyl-5-(4-methylsulfonylphenyl)-3H-furo[2,3-c]pyridine
PubChem CID71208092
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC Name(2S)-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2-methyl-5-(4-methylsulfonylphenyl)-3H-furo[2,3-c]pyridine
SMILESCC(C)(C)c1noc(N2CCC([C@]3(C)Cc4cc(-c5ccc(S(C)(=O)=O)cc5)ncc4O3)CC2)n1
InChIInChI=1S/C26H32N4O4S/c1-25(2,3)23-28-24(34-29-23)30-12-10-19(11-13-30)26(4)15-18-14-21(27-16-22(18)33-26)17-6-8-20(9-7-17)35(5,31)32/h6-9,14,16,19H,10-13,15H2,1-5H3/t26-/m0/s1
InChIKeyUKKDSVFWNPHDSH-SANMLTNESA-N
XLogP4.44
TPSA98.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2S)-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2-methyl-5-(4-methylsulfonylphenyl)-3H-furo[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2-methyl-5-(4-methylsulfonylphenyl)-3H-furo[2,3-c]pyridine?
The IUPAC name of (2S)-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2-methyl-5-(4-methylsulfonylphenyl)-3H-furo[2,3-c]pyridine (CID 71208092) is (2S)-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2-methyl-5-(4-methylsulfonylphenyl)-3H-furo[2,3-c]pyridine.
What is the SMILES notation for (2S)-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2-methyl-5-(4-methylsulfonylphenyl)-3H-furo[2,3-c]pyridine?
The canonical SMILES for (2S)-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2-methyl-5-(4-methylsulfonylphenyl)-3H-furo[2,3-c]pyridine is CC(C)(C)c1noc(N2CCC([C@]3(C)Cc4cc(-c5ccc(S(C)(=O)=O)cc5)ncc4O3)CC2)n1.
What is the InChIKey of (2S)-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2-methyl-5-(4-methylsulfonylphenyl)-3H-furo[2,3-c]pyridine?
The InChIKey is UKKDSVFWNPHDSH-SANMLTNESA-N. The full InChI is InChI=1S/C26H32N4O4S/c1-25(2,3)23-28-24(34-29-23)30-12-10-19(11-13-30)26(4)15-18-14-21(27-16-22(18)33-26)17-6-8-20(9-7-17)35(5,31)32/h6-9,14,16,19H,10-13,15H2,1-5H3/t26-/m0/s1.
What are the key properties of (2S)-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2-methyl-5-(4-methylsulfonylphenyl)-3H-furo[2,3-c]pyridine?
(2S)-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2-methyl-5-(4-methylsulfonylphenyl)-3H-furo[2,3-c]pyridine has a molecular weight of 496.63 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]-2-methyl-5-(4-methylsulfonylphenyl)-3H-furo[2,3-c]pyridine is sourced from PubChem (CID 71208092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).