4-amino-N-(4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide

C9H16N4O2 — CID 62687224

IUPAC4-amino-N-(4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C)CC(C)NC(=O)c1nonc1N
InChIInChI=1S/C9H16N4O2/c1-5(2)4-6(3)11-9(14)7-8(10)13-15-12-7/h5-6H,4H2,1-3H3,(H2,10,13)(H,11,14)
InChIKeyGMEKZQBZIAIARK-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.82
Rot. Bonds4

About 4-amino-N-(4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62687224) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-amino-N-(4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62687224
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-amino-N-(4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C)CC(C)NC(=O)c1nonc1N
InChIInChI=1S/C9H16N4O2/c1-5(2)4-6(3)11-9(14)7-8(10)13-15-12-7/h5-6H,4H2,1-3H3,(H2,10,13)(H,11,14)
InChIKeyGMEKZQBZIAIARK-UHFFFAOYSA-N
XLogP0.82
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide (CID 62687224) is 4-amino-N-(4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide is CC(C)CC(C)NC(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-(4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is GMEKZQBZIAIARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-5(2)4-6(3)11-9(14)7-8(10)13-15-12-7/h5-6H,4H2,1-3H3,(H2,10,13)(H,11,14).
What are the key properties of 4-amino-N-(4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 212.25 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methylpentan-2-yl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62687224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).