5-tert-butyl-N-(2-methylpropyl)-1,3,4-oxadiazole-2-carboxamide

C11H19N3O2 — CID 18622565

IUPAC5-tert-butyl-N-(2-methylpropyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)CNC(=O)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C11H19N3O2/c1-7(2)6-12-8(15)9-13-14-10(16-9)11(3,4)5/h7H,6H2,1-5H3,(H,12,15)
InChIKeyJHGZGAXEVSUGAH-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.75
Rot. Bonds3

About 5-tert-butyl-N-(2-methylpropyl)-1,3,4-oxadiazole-2-carboxamide

5-tert-butyl-N-(2-methylpropyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 18622565) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-tert-butyl-N-(2-methylpropyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(2-methylpropyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID18622565
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-tert-butyl-N-(2-methylpropyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)CNC(=O)c1nnc(C(C)(C)C)o1
InChIInChI=1S/C11H19N3O2/c1-7(2)6-12-8(15)9-13-14-10(16-9)11(3,4)5/h7H,6H2,1-5H3,(H,12,15)
InChIKeyJHGZGAXEVSUGAH-UHFFFAOYSA-N
XLogP1.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(2-methylpropyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-tert-butyl-N-(2-methylpropyl)-1,3,4-oxadiazole-2-carboxamide (CID 18622565) is 5-tert-butyl-N-(2-methylpropyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(2-methylpropyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(2-methylpropyl)-1,3,4-oxadiazole-2-carboxamide is CC(C)CNC(=O)c1nnc(C(C)(C)C)o1.
What is the InChIKey of 5-tert-butyl-N-(2-methylpropyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is JHGZGAXEVSUGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(2)6-12-8(15)9-13-14-10(16-9)11(3,4)5/h7H,6H2,1-5H3,(H,12,15).
What are the key properties of 5-tert-butyl-N-(2-methylpropyl)-1,3,4-oxadiazole-2-carboxamide?
5-tert-butyl-N-(2-methylpropyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(2-methylpropyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 18622565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).