3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-N,2,2-trimethylpropanamide

C8H15N5O2 — CID 106280975

IUPAC3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nnc(N)o1
InChIInChI=1S/C8H15N5O2/c1-8(2,5(14)10-3)4-11-7-13-12-6(9)15-7/h4H2,1-3H3,(H2,9,12)(H,10,14)(H,11,13)
InChIKeyZNKGWCWEMHCIPY-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.16
Rot. Bonds4

About 3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-N,2,2-trimethylpropanamide

3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 106280975) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID106280975
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nnc(N)o1
InChIInChI=1S/C8H15N5O2/c1-8(2,5(14)10-3)4-11-7-13-12-6(9)15-7/h4H2,1-3H3,(H2,9,12)(H,10,14)(H,11,13)
InChIKeyZNKGWCWEMHCIPY-UHFFFAOYSA-N
XLogP-0.16
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-N,2,2-trimethylpropanamide (CID 106280975) is 3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1nnc(N)o1.
What is the InChIKey of 3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is ZNKGWCWEMHCIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-8(2,5(14)10-3)4-11-7-13-12-6(9)15-7/h4H2,1-3H3,(H2,9,12)(H,10,14)(H,11,13).
What are the key properties of 3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-N,2,2-trimethylpropanamide?
3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 213.24 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1,3,4-oxadiazol-2-yl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106280975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).