N'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzenecarboximidamide

C13H16N4O — CID 13381406

IUPACN'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzenecarboximidamide
SMILESCC(C)(C)c1nnc(/N=C(\N)c2ccccc2)o1
InChIInChI=1S/C13H16N4O/c1-13(2,3)11-16-17-12(18-11)15-10(14)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,14,15,17)
InChIKeyPFOFZNIEEDSTKX-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.40
Rot. Bonds2

About N'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzenecarboximidamide

N'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzenecarboximidamide (PubChem CID 13381406) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzenecarboximidamide
PubChem CID13381406
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzenecarboximidamide
SMILESCC(C)(C)c1nnc(/N=C(\N)c2ccccc2)o1
InChIInChI=1S/C13H16N4O/c1-13(2,3)11-16-17-12(18-11)15-10(14)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,14,15,17)
InChIKeyPFOFZNIEEDSTKX-UHFFFAOYSA-N
XLogP2.40
TPSA77.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzenecarboximidamide?
The IUPAC name of N'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzenecarboximidamide (CID 13381406) is N'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzenecarboximidamide.
What is the SMILES notation for N'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzenecarboximidamide?
The canonical SMILES for N'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzenecarboximidamide is CC(C)(C)c1nnc(/N=C(\N)c2ccccc2)o1.
What is the InChIKey of N'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzenecarboximidamide?
The InChIKey is PFOFZNIEEDSTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-13(2,3)11-16-17-12(18-11)15-10(14)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,14,15,17).
What are the key properties of N'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzenecarboximidamide?
N'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzenecarboximidamide has a molecular weight of 244.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzenecarboximidamide is sourced from PubChem (CID 13381406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).