2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole

C17H21N5O3S2 — CID 92590169

IUPAC2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
SMILESCCn1cc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccc(C)s4)o3)C2)cn1
InChIInChI=1S/C17H21N5O3S2/c1-3-21-11-14(9-18-21)27(23,24)22-8-4-5-13(10-22)16-19-20-17(25-16)15-7-6-12(2)26-15/h6-7,9,11,13H,3-5,8,10H2,1-2H3/t13-/m1/s1
InChIKeyREFBMAKGNQRLER-CYBMUJFWSA-N
MW407.52 g/mol
LogP2.89
Rot. Bonds5

About 2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole

2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole (PubChem CID 92590169) has the molecular formula C17H21N5O3S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
PubChem CID92590169
Molecular FormulaC17H21N5O3S2
Molecular Weight407.52 g/mol
Exact Mass407.11
IUPAC Name2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
SMILESCCn1cc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccc(C)s4)o3)C2)cn1
InChIInChI=1S/C17H21N5O3S2/c1-3-21-11-14(9-18-21)27(23,24)22-8-4-5-13(10-22)16-19-20-17(25-16)15-7-6-12(2)26-15/h6-7,9,11,13H,3-5,8,10H2,1-2H3/t13-/m1/s1
InChIKeyREFBMAKGNQRLER-CYBMUJFWSA-N
XLogP2.89
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92559523
2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-isoquinolin-1-yl-1,3,4-oxadiazole
CID 92590167
2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 110217531
2-(4-fluorophenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,3,4-oxadiazole
CID 121069600
2-[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 121069531
2-[(3R)-1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 99963715
2-[2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]acetamide
CID 72852742
2-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92558030
2-(5-methylthiophen-2-yl)-5-[(3S)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazole
CID 95849872
2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110247160
N-cyclohexyl-3-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92590162
[(3R)-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 92559499

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole (CID 92590169) is 2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole is CCn1cc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccc(C)s4)o3)C2)cn1.
What is the InChIKey of 2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole?
The InChIKey is REFBMAKGNQRLER-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5O3S2/c1-3-21-11-14(9-18-21)27(23,24)22-8-4-5-13(10-22)16-19-20-17(25-16)15-7-6-12(2)26-15/h6-7,9,11,13H,3-5,8,10H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole?
2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole has a molecular weight of 407.52 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 92590169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).