3-amino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide

C8H14N4O2 — CID 106397110

IUPAC3-amino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCC(C)(CN)C(=O)NCc1ncon1
InChIInChI=1S/C8H14N4O2/c1-8(2,4-9)7(13)10-3-6-11-5-14-12-6/h5H,3-4,9H2,1-2H3,(H,10,13)
InChIKeyHZDQGTQAJVAOIG-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.33
Rot. Bonds4

About 3-amino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide

3-amino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (PubChem CID 106397110) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
PubChem CID106397110
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name3-amino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
SMILESCC(C)(CN)C(=O)NCc1ncon1
InChIInChI=1S/C8H14N4O2/c1-8(2,4-9)7(13)10-3-6-11-5-14-12-6/h5H,3-4,9H2,1-2H3,(H,10,13)
InChIKeyHZDQGTQAJVAOIG-UHFFFAOYSA-N
XLogP-0.33
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide (CID 106397110) is 3-amino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is CC(C)(CN)C(=O)NCc1ncon1.
What is the InChIKey of 3-amino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
The InChIKey is HZDQGTQAJVAOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-8(2,4-9)7(13)10-3-6-11-5-14-12-6/h5H,3-4,9H2,1-2H3,(H,10,13).
What are the key properties of 3-amino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide?
3-amino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide has a molecular weight of 198.23 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide is sourced from PubChem (CID 106397110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).