tert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate

C12H20N4O3 — CID 95566122

IUPACtert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nnc(N)o2)CC1
InChIInChI=1S/C12H20N4O3/c1-12(2,3)19-11(17)16-6-4-8(5-7-16)9-14-15-10(13)18-9/h8H,4-7H2,1-3H3,(H2,13,15)
InChIKeySRUYAZKBNFXZHK-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.77
Rot. Bonds1

About tert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate

tert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate (PubChem CID 95566122) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is tert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
PubChem CID95566122
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Nametert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nnc(N)o2)CC1
InChIInChI=1S/C12H20N4O3/c1-12(2,3)19-11(17)16-6-4-8(5-7-16)9-14-15-10(13)18-9/h8H,4-7H2,1-3H3,(H2,13,15)
InChIKeySRUYAZKBNFXZHK-UHFFFAOYSA-N
XLogP1.77
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[5-(2-oxo-4-sulfamoylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 168716797
tert-butyl 4-[5-(2,2,2-trifluoroethoxymethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 59347479
tert-butyl 4-[5-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 168506881
tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate
CID 131229980
tert-butyl 4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
CID 15991518
tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane
CID 144686665
tert-butyl 4-[2-(hydroxymethyl)-1,3-oxazol-5-yl]piperidine-1-carboxylate
CID 115051908
tert-butyl (4R)-4-(1,3-oxazol-2-yl)azepane-1-carboxylate
CID 170903655
methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate
CID 67460578
tert-butyl (3R)-3-(6-aminopyridazin-3-yl)pyrrolidine-1-carboxylate
CID 163947882
tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 170307138
tert-butyl 3-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 71250559

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate (CID 95566122) is tert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2nnc(N)o2)CC1.
What is the InChIKey of tert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate?
The InChIKey is SRUYAZKBNFXZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-12(2,3)19-11(17)16-6-4-8(5-7-16)9-14-15-10(13)18-9/h8H,4-7H2,1-3H3,(H2,13,15).
What are the key properties of tert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate has a molecular weight of 268.32 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-amino-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 95566122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).