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

C12H21N3O2 — CID 176726270

IUPAC5-tert-butyl-N-(2,2-dimethylpropyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)(C)CNC(=O)c1noc(C(C)(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-11(2,3)7-13-9(16)8-14-10(17-15-8)12(4,5)6/h7H2,1-6H3,(H,13,16)
InChIKeyPRNLQDMPGFGLIC-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.14
Rot. Bonds2

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

5-tert-butyl-N-(2,2-dimethylpropyl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 176726270) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-tert-butyl-N-(2,2-dimethylpropyl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(2,2-dimethylpropyl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID176726270
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name5-tert-butyl-N-(2,2-dimethylpropyl)-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C)(C)CNC(=O)c1noc(C(C)(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-11(2,3)7-13-9(16)8-14-10(17-15-8)12(4,5)6/h7H2,1-6H3,(H,13,16)
InChIKeyPRNLQDMPGFGLIC-UHFFFAOYSA-N
XLogP2.14
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.14
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-(2,2-dimethylpropyl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-(2,2-dimethylpropyl)-1,2,4-oxadiazole-3-carboxamide (CID 176726270) is 5-tert-butyl-N-(2,2-dimethylpropyl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(2,2-dimethylpropyl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(2,2-dimethylpropyl)-1,2,4-oxadiazole-3-carboxamide is CC(C)(C)CNC(=O)c1noc(C(C)(C)C)n1.
What is the InChIKey of 5-tert-butyl-N-(2,2-dimethylpropyl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is PRNLQDMPGFGLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-11(2,3)7-13-9(16)8-14-10(17-15-8)12(4,5)6/h7H2,1-6H3,(H,13,16).
What are the key properties of 5-tert-butyl-N-(2,2-dimethylpropyl)-1,2,4-oxadiazole-3-carboxamide?
5-tert-butyl-N-(2,2-dimethylpropyl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(2,2-dimethylpropyl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 176726270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).