(1-tert-butyl-1,2,4-triazol-3-yl)-[(2S)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

C19H28N6O3 — CID 129345198

IUPAC(1-tert-butyl-1,2,4-triazol-3-yl)-[(2S)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCC(C)(C)n1cnc(C(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)n1
InChIInChI=1S/C19H28N6O3/c1-19(2,3)25-12-20-15(23-25)18(26)24-9-5-4-6-14(24)17-22-21-16(28-17)13-7-10-27-11-8-13/h12-14H,4-11H2,1-3H3/t14-/m0/s1
InChIKeyJUFVSNYXYLAZQN-AWEZNQCLSA-N
MW388.47 g/mol
LogP2.68
Rot. Bonds3

About (1-tert-butyl-1,2,4-triazol-3-yl)-[(2S)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

(1-tert-butyl-1,2,4-triazol-3-yl)-[(2S)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 129345198) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is (1-tert-butyl-1,2,4-triazol-3-yl)-[(2S)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butyl-1,2,4-triazol-3-yl)-[(2S)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID129345198
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name(1-tert-butyl-1,2,4-triazol-3-yl)-[(2S)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCC(C)(C)n1cnc(C(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)n1
InChIInChI=1S/C19H28N6O3/c1-19(2,3)25-12-20-15(23-25)18(26)24-9-5-4-6-14(24)17-22-21-16(28-17)13-7-10-27-11-8-13/h12-14H,4-11H2,1-3H3/t14-/m0/s1
InChIKeyJUFVSNYXYLAZQN-AWEZNQCLSA-N
XLogP2.68
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

[(2S)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 129479115
(5-ethylfuran-2-yl)-[2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 128990688
[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-hydroxy-4-propan-2-ylphenyl)methanone
CID 136544299
[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 136543650
1-[4-[5-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 95805382
2-[(2R)-1-[(2S)-2-methyl-3-phenylpropyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole
CID 129478967
[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-pyrrolidin-1-ylmethanone
CID 155947775
(2-methoxy-3-pyridinyl)-[(2R)-2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 129486748
6-methyl-5-[2-[5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 128991948
2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanol
CID 154743934
(1-tert-butyl-3-methylpyrazol-4-yl)-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 128993946
(4-methylphenyl)-[(2S)-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 124968761

Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-1,2,4-triazol-3-yl)-[(2S)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-tert-butyl-1,2,4-triazol-3-yl)-[(2S)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 129345198) is (1-tert-butyl-1,2,4-triazol-3-yl)-[(2S)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-tert-butyl-1,2,4-triazol-3-yl)-[(2S)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-tert-butyl-1,2,4-triazol-3-yl)-[(2S)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is CC(C)(C)n1cnc(C(=O)N2CCCC[C@H]2c2nnc(C3CCOCC3)o2)n1.
What is the InChIKey of (1-tert-butyl-1,2,4-triazol-3-yl)-[(2S)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is JUFVSNYXYLAZQN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-19(2,3)25-12-20-15(23-25)18(26)24-9-5-4-6-14(24)17-22-21-16(28-17)13-7-10-27-11-8-13/h12-14H,4-11H2,1-3H3/t14-/m0/s1.
What are the key properties of (1-tert-butyl-1,2,4-triazol-3-yl)-[(2S)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
(1-tert-butyl-1,2,4-triazol-3-yl)-[(2S)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 388.47 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-1,2,4-triazol-3-yl)-[(2S)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 129345198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).