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

C11H14N4O — CID 110456058

IUPACN-tert-butyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)Nc1nnc(-c2ccncc2)o1
InChIInChI=1S/C11H14N4O/c1-11(2,3)13-10-15-14-9(16-10)8-4-6-12-7-5-8/h4-7H,1-3H3,(H,13,15)
InChIKeyGCKYVJDDWLMGJJ-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.34
Rot. Bonds2

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

N-tert-butyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine (PubChem CID 110456058) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-tert-butyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
PubChem CID110456058
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-tert-butyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)Nc1nnc(-c2ccncc2)o1
InChIInChI=1S/C11H14N4O/c1-11(2,3)13-10-15-14-9(16-10)8-4-6-12-7-5-8/h4-7H,1-3H3,(H,13,15)
InChIKeyGCKYVJDDWLMGJJ-UHFFFAOYSA-N
XLogP2.34
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-tert-butyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine (CID 110456058) is N-tert-butyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-tert-butyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-tert-butyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine is CC(C)(C)Nc1nnc(-c2ccncc2)o1.
What is the InChIKey of N-tert-butyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is GCKYVJDDWLMGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-11(2,3)13-10-15-14-9(16-10)8-4-6-12-7-5-8/h4-7H,1-3H3,(H,13,15).
What are the key properties of N-tert-butyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine?
N-tert-butyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 218.26 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-pyridin-4-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 110456058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).