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

C19H16N4O3S2 — CID 72717128

IUPAC[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCCC(c2nnc(-c3ccsc3)o2)C1
InChIInChI=1S/C19H16N4O3S2/c24-19(14-9-15(26-22-14)16-4-2-7-28-16)23-6-1-3-12(10-23)17-20-21-18(25-17)13-5-8-27-11-13/h2,4-5,7-9,11-12H,1,3,6,10H2
InChIKeyHLRHQHOBKIIQGQ-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.53
Rot. Bonds4

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

[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 72717128) has the molecular formula C19H16N4O3S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is [3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID72717128
Molecular FormulaC19H16N4O3S2
Molecular Weight412.50 g/mol
Exact Mass412.07
IUPAC Name[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2cccs2)on1)N1CCCC(c2nnc(-c3ccsc3)o2)C1
InChIInChI=1S/C19H16N4O3S2/c24-19(14-9-15(26-22-14)16-4-2-7-28-16)23-6-1-3-12(10-23)17-20-21-18(25-17)13-5-8-27-11-13/h2,4-5,7-9,11-12H,1,3,6,10H2
InChIKeyHLRHQHOBKIIQGQ-UHFFFAOYSA-N
XLogP4.53
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-3-[5-(5-methylisoxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-thienyl)ethyl]propanamide
CID 16190737
(3-(5-(2-Fluorophenyl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(5-(thiophen-2-yl)isoxazol-3-yl)methanone
CID 71793103
(5-Methylisoxazol-3-yl)(3-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 44067664
3,5-Dimethyl-4-{1-[5-(thiophen-2-YL)-1,2-oxazole-3-carbonyl]pyrrolidin-2-YL}-1,2-oxazole
CID 46366280
5-Ethyl-3-methyl-4-{1-[5-(thiophen-2-YL)-1,2-oxazole-3-carbonyl]pyrrolidin-2-YL}-1,2-oxazole
CID 46366304
(5-Methylisoxazol-3-yl)(4-(5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 71793015
(4-(5-Methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(5-(thiophen-2-yl)isoxazol-3-yl)methanone
CID 71793083
[(S)-3-[5-(3-thienyl)-1,3,4-oxadiazol-2-yl]-1-piperidyl][3-(2-thienyl)-5-pyrazolyl]methanone
CID 97426954
2-(3,5-dimethyl-4-isoxazolyl)-1-[(S)-3-[5-(3-thienyl)-1,3,4-oxadiazol-2-yl]-1-piperidyl]-1-ethanone
CID 97427012
N-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl]-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 8690120
(5-(Thiophen-2-yl)isoxazol-3-yl)(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 71792978
(5-(Thiophen-2-yl)isoxazol-3-yl)(3-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 90540254

Frequently Asked Questions

What is the IUPAC name of [3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone (CID 72717128) is [3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2cccs2)on1)N1CCCC(c2nnc(-c3ccsc3)o2)C1.
What is the InChIKey of [3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is HLRHQHOBKIIQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S2/c24-19(14-9-15(26-22-14)16-4-2-7-28-16)23-6-1-3-12(10-23)17-20-21-18(25-17)13-5-8-27-11-13/h2,4-5,7-9,11-12H,1,3,6,10H2.
What are the key properties of [3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone?
[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 412.50 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 72717128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).