4-amino-N,N-dihexyl-1,2,5-oxadiazole-3-carboxamide

C15H28N4O2 — CID 62687260

IUPAC4-amino-N,N-dihexyl-1,2,5-oxadiazole-3-carboxamide
SMILESCCCCCCN(CCCCCC)C(=O)c1nonc1N
InChIInChI=1S/C15H28N4O2/c1-3-5-7-9-11-19(12-10-8-6-4-2)15(20)13-14(16)18-21-17-13/h3-12H2,1-2H3,(H2,16,18)
InChIKeyNFTCSELYRWDVSI-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.25
Rot. Bonds11

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

4-amino-N,N-dihexyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62687260) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-amino-N,N-dihexyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,N-dihexyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID62687260
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name4-amino-N,N-dihexyl-1,2,5-oxadiazole-3-carboxamide
SMILESCCCCCCN(CCCCCC)C(=O)c1nonc1N
InChIInChI=1S/C15H28N4O2/c1-3-5-7-9-11-19(12-10-8-6-4-2)15(20)13-14(16)18-21-17-13/h3-12H2,1-2H3,(H2,16,18)
InChIKeyNFTCSELYRWDVSI-UHFFFAOYSA-N
XLogP3.25
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N,N-bis(3-methylbutyl)-1,2,5-oxadiazole-3-carboxamide
CID 55103665
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-ethylamino]acetic acid
CID 62688558
4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1,2,5-oxadiazole-3-carboxamide
CID 62687071
4-amino-5-ethyl-N-hexyl-N-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide
CID 62082355
4-amino-N,N-didodecylbenzamide
CID 5077826
3-amino-N-heptyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
CID 104741773
4-amino-N,N-dibutyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 62080934
4-amino-N-(2-methylpropyl)-N-pentan-3-yl-1,2,5-oxadiazole-3-carboxamide
CID 79488575
2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide
CID 4094249
1-[6-[carbamoyl(octadecyl)amino]hexyl]-1-octadecylurea
CID 87213493
ethyl N,N-didodecylcarbamate
CID 70629624
ethyl N-[6-[ethoxycarbonyl(octyl)amino]hexyl]-N-octylcarbamate
CID 23053337

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dihexyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N,N-dihexyl-1,2,5-oxadiazole-3-carboxamide (CID 62687260) is 4-amino-N,N-dihexyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N,N-dihexyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N,N-dihexyl-1,2,5-oxadiazole-3-carboxamide is CCCCCCN(CCCCCC)C(=O)c1nonc1N.
What is the InChIKey of 4-amino-N,N-dihexyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is NFTCSELYRWDVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-3-5-7-9-11-19(12-10-8-6-4-2)15(20)13-14(16)18-21-17-13/h3-12H2,1-2H3,(H2,16,18).
What are the key properties of 4-amino-N,N-dihexyl-1,2,5-oxadiazole-3-carboxamide?
4-amino-N,N-dihexyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 3.25, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dihexyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62687260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).