4-amino-N-hexan-3-yl-1,2,5-oxadiazole-3-carboxamide

C9H16N4O2 — CID 62685835

IUPAC4-amino-N-hexan-3-yl-1,2,5-oxadiazole-3-carboxamide
SMILESCCCC(CC)NC(=O)c1nonc1N
InChIInChI=1S/C9H16N4O2/c1-3-5-6(4-2)11-9(14)7-8(10)13-15-12-7/h6H,3-5H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyQSPSZZKASVNCNO-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.96
Rot. Bonds5

About 4-amino-N-hexan-3-yl-1,2,5-oxadiazole-3-carboxamide

4-amino-N-hexan-3-yl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62685835) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-amino-N-hexan-3-yl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-hexan-3-yl-1,2,5-oxadiazole-3-carboxamide
PubChem CID62685835
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-amino-N-hexan-3-yl-1,2,5-oxadiazole-3-carboxamide
SMILESCCCC(CC)NC(=O)c1nonc1N
InChIInChI=1S/C9H16N4O2/c1-3-5-6(4-2)11-9(14)7-8(10)13-15-12-7/h6H,3-5H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyQSPSZZKASVNCNO-UHFFFAOYSA-N
XLogP0.96
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-hexan-3-yl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-hexan-3-yl-1,2,5-oxadiazole-3-carboxamide (CID 62685835) is 4-amino-N-hexan-3-yl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-hexan-3-yl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-hexan-3-yl-1,2,5-oxadiazole-3-carboxamide is CCCC(CC)NC(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-hexan-3-yl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is QSPSZZKASVNCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-3-5-6(4-2)11-9(14)7-8(10)13-15-12-7/h6H,3-5H2,1-2H3,(H2,10,13)(H,11,14).
What are the key properties of 4-amino-N-hexan-3-yl-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-hexan-3-yl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 212.25 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-hexan-3-yl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62685835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).