5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazole-2-carboxamide

C8H14N4O2 — CID 58124164

IUPAC5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)(C)[C@H](N)c1nnc(C(N)=O)o1
InChIInChI=1S/C8H14N4O2/c1-8(2,3)4(9)6-11-12-7(14-6)5(10)13/h4H,9H2,1-3H3,(H2,10,13)/t4-/m1/s1
InChIKeyMPYLRIQHFFUESE-SCSAIBSYSA-N
MW198.23 g/mol
LogP0.21
Rot. Bonds2

About 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazole-2-carboxamide

5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 58124164) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID58124164
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)(C)[C@H](N)c1nnc(C(N)=O)o1
InChIInChI=1S/C8H14N4O2/c1-8(2,3)4(9)6-11-12-7(14-6)5(10)13/h4H,9H2,1-3H3,(H2,10,13)/t4-/m1/s1
InChIKeyMPYLRIQHFFUESE-SCSAIBSYSA-N
XLogP0.21
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazole-2-carboxamide (CID 58124164) is 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazole-2-carboxamide is CC(C)(C)[C@H](N)c1nnc(C(N)=O)o1.
What is the InChIKey of 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is MPYLRIQHFFUESE-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-8(2,3)4(9)6-11-12-7(14-6)5(10)13/h4H,9H2,1-3H3,(H2,10,13)/t4-/m1/s1.
What are the key properties of 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazole-2-carboxamide?
5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 198.23 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 58124164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).