[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone

C19H17N5O2S2 — CID 97426954

IUPAC[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)[nH]n1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1
InChIInChI=1S/C19H17N5O2S2/c25-19(15-9-14(20-21-15)16-4-2-7-28-16)24-6-1-3-12(10-24)17-22-23-18(26-17)13-5-8-27-11-13/h2,4-5,7-9,11-12H,1,3,6,10H2,(H,20,21)/t12-/m0/s1
InChIKeyXJLPJEFJSNOMIJ-LBPRGKRZSA-N
MW411.51 g/mol
LogP4.27
Rot. Bonds4

About [(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone

[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 97426954) has the molecular formula C19H17N5O2S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is [(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID97426954
Molecular FormulaC19H17N5O2S2
Molecular Weight411.51 g/mol
Exact Mass411.08
IUPAC Name[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)[nH]n1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1
InChIInChI=1S/C19H17N5O2S2/c25-19(15-9-14(20-21-15)16-4-2-7-28-16)24-6-1-3-12(10-24)17-22-23-18(26-17)13-5-8-27-11-13/h2,4-5,7-9,11-12H,1,3,6,10H2,(H,20,21)/t12-/m0/s1
InChIKeyXJLPJEFJSNOMIJ-LBPRGKRZSA-N
XLogP4.27
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-(4-fluorophenyl)-1H-pyrazol-5-yl)(4-(5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 71792992
(4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanone
CID 45540653
(5-(Thiophen-2-yl)isoxazol-3-yl)(3-(5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 72717128
(4-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanone
CID 45540855
N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 56017180
(3-(thiophen-2-yl)-1H-pyrazol-5-yl)(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 90539798
(3-(thiophen-2-yl)-1H-pyrazol-5-yl)(3-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 90540055
(3-(4-fluorophenyl)-1H-pyrazol-5-yl)(3-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 121068769
(3-(4-fluorophenyl)-1-methyl-1H-pyrazol-5-yl)(3-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 121068904
(3-(thiophen-2-yl)-1H-pyrazol-5-yl)(3-(5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 121069109
(3-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanone
CID 121069293
(3-(4-fluorophenyl)-1H-pyrazol-5-yl)(3-(5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 121114537

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone (CID 97426954) is [(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone is O=C(c1cc(-c2cccs2)[nH]n1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1.
What is the InChIKey of [(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is XJLPJEFJSNOMIJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17N5O2S2/c25-19(15-9-14(20-21-15)16-4-2-7-28-16)24-6-1-3-12(10-24)17-22-23-18(26-17)13-5-8-27-11-13/h2,4-5,7-9,11-12H,1,3,6,10H2,(H,20,21)/t12-/m0/s1.
What are the key properties of [(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone?
[(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 411.51 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 97426954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).