4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

C16H16N6O2S — CID 46987816

IUPAC4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nncs1)N1CCC(c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C16H16N6O2S/c23-16(19-15-20-17-10-25-15)22-8-6-12(7-9-22)14-18-13(21-24-14)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,19,20,23)
InChIKeyAMEZPYMLJVKMBT-UHFFFAOYSA-N
MW356.41 g/mol
LogP3.00
Rot. Bonds3

About 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (PubChem CID 46987816) has the molecular formula C16H16N6O2S and a molecular weight of 356.41 g/mol. Its IUPAC name is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
PubChem CID46987816
Molecular FormulaC16H16N6O2S
Molecular Weight356.41 g/mol
Exact Mass356.11
IUPAC Name4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESO=C(Nc1nncs1)N1CCC(c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C16H16N6O2S/c23-16(19-15-20-17-10-25-15)22-8-6-12(7-9-22)14-18-13(21-24-14)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,19,20,23)
InChIKeyAMEZPYMLJVKMBT-UHFFFAOYSA-N
XLogP3.00
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760971
N-tert-butyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760961
N-(4-nitrophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 3490558
N-(2,4-dichlorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 5207523
N-(1-ethyl-1,2,4-triazol-3-yl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 46994061
N-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769479
(1-methylcyclopropyl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136514881
N-[5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 86889090
(3-methylthiophen-2-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 91946382
4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 4569000
N-(2-bromophenyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760920
N-benzyl-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769544

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (CID 46987816) is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is O=C(Nc1nncs1)N1CCC(c2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is AMEZPYMLJVKMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2S/c23-16(19-15-20-17-10-25-15)22-8-6-12(7-9-22)14-18-13(21-24-14)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,19,20,23).
What are the key properties of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46987816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).