N-tert-butyl-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine

C11H20N4O — CID 110456060

IUPACN-tert-butyl-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)Nc1nnc(C2CCCNC2)o1
InChIInChI=1S/C11H20N4O/c1-11(2,3)13-10-15-14-9(16-10)8-5-4-6-12-7-8/h8,12H,4-7H2,1-3H3,(H,13,15)
InChIKeyZEZBFGOKSXADQM-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.75
Rot. Bonds2

About N-tert-butyl-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine

N-tert-butyl-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine (PubChem CID 110456060) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-tert-butyl-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine
PubChem CID110456060
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-tert-butyl-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)Nc1nnc(C2CCCNC2)o1
InChIInChI=1S/C11H20N4O/c1-11(2,3)13-10-15-14-9(16-10)8-5-4-6-12-7-8/h8,12H,4-7H2,1-3H3,(H,13,15)
InChIKeyZEZBFGOKSXADQM-UHFFFAOYSA-N
XLogP1.75
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 96656863
2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole
CID 84666395
N-[2-(4-chlorophenyl)ethyl]-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine
CID 110456525
methyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate
CID 105464818
2-piperidin-3-yl-5-pyrrolidin-1-yl-1,3,4-oxadiazole
CID 82473056
5-piperidin-3-yl-1,3,4-oxadiazole-2-carbaldehyde
CID 82668755
2-(4-methylphenyl)-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole
CID 39347689
2-ethyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 124673400
2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-3-yl)-1,3,4-oxadiazole
CID 5255005
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-piperidin-3-ylacetamide
CID 62674927
1-[(3S)-3-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 124956744
2-(2-methoxyphenyl)-5-piperidin-3-yl-1,3,4-oxadiazole
CID 82044862

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-tert-butyl-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine (CID 110456060) is N-tert-butyl-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-tert-butyl-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-tert-butyl-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine is CC(C)(C)Nc1nnc(C2CCCNC2)o1.
What is the InChIKey of N-tert-butyl-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is ZEZBFGOKSXADQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2,3)13-10-15-14-9(16-10)8-5-4-6-12-7-8/h8,12H,4-7H2,1-3H3,(H,13,15).
What are the key properties of N-tert-butyl-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine?
N-tert-butyl-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 224.31 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-piperidin-3-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 110456060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).