oxan-4-yl 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate

C18H23N3O4S — CID 90642733

IUPACoxan-4-yl 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate
SMILESO=C(OC1CCOCC1)N1CCCC(Cc2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C18H23N3O4S/c22-18(24-15-3-7-23-8-4-15)21-6-1-2-13(11-21)10-16-19-17(20-25-16)14-5-9-26-12-14/h5,9,12-13,15H,1-4,6-8,10-11H2
InChIKeyZIBBKVFXGQVWFD-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.37
Rot. Bonds4

About oxan-4-yl 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate

oxan-4-yl 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate (PubChem CID 90642733) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is oxan-4-yl 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameoxan-4-yl 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate
PubChem CID90642733
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Nameoxan-4-yl 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate
SMILESO=C(OC1CCOCC1)N1CCCC(Cc2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C18H23N3O4S/c22-18(24-15-3-7-23-8-4-15)21-6-1-2-13(11-21)10-16-19-17(20-25-16)14-5-9-26-12-14/h5,9,12-13,15H,1-4,6-8,10-11H2
InChIKeyZIBBKVFXGQVWFD-UHFFFAOYSA-N
XLogP3.37
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze oxan-4-yl 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

3-chloro-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 90642546
3-cyclohexyl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 90642538
(4-phenyloxan-4-yl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642642
(2-methoxyphenyl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642556
2-propyl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]pentan-1-one
CID 90642532
1-adamantyl-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642539
[2-methyl-1-oxo-1-[(3R)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]propan-2-yl] acetate
CID 99878997
(5-methylpyrazin-2-yl)-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 90642723
(Z)-3-thiophen-2-yl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]prop-2-en-1-one
CID 90642516
(E)-3-thiophen-2-yl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]prop-2-en-1-one
CID 178188173
2-(4-fluorophenyl)sulfanyl-1-[(3S)-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 99878978
[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 90642728

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of oxan-4-yl 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate (CID 90642733) is oxan-4-yl 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for oxan-4-yl 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for oxan-4-yl 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate is O=C(OC1CCOCC1)N1CCCC(Cc2nc(-c3ccsc3)no2)C1.
What is the InChIKey of oxan-4-yl 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate?
The InChIKey is ZIBBKVFXGQVWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c22-18(24-15-3-7-23-8-4-15)21-6-1-2-13(11-21)10-16-19-17(20-25-16)14-5-9-26-12-14/h5,9,12-13,15H,1-4,6-8,10-11H2.
What are the key properties of oxan-4-yl 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate?
oxan-4-yl 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate has a molecular weight of 377.47 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl 3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 90642733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).