4-amino-N-[3-(2-methylpropoxy)propyl]-1,2,5-oxadiazole-3-carboxamide

C10H18N4O3 — CID 55103467

IUPAC4-amino-N-[3-(2-methylpropoxy)propyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C)COCCCNC(=O)c1nonc1N
InChIInChI=1S/C10H18N4O3/c1-7(2)6-16-5-3-4-12-10(15)8-9(11)14-17-13-8/h7H,3-6H2,1-2H3,(H2,11,14)(H,12,15)
InChIKeyCTOXSTWMIIWELR-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.44
Rot. Bonds7

About 4-amino-N-[3-(2-methylpropoxy)propyl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[3-(2-methylpropoxy)propyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 55103467) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-amino-N-[3-(2-methylpropoxy)propyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(2-methylpropoxy)propyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID55103467
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name4-amino-N-[3-(2-methylpropoxy)propyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C)COCCCNC(=O)c1nonc1N
InChIInChI=1S/C10H18N4O3/c1-7(2)6-16-5-3-4-12-10(15)8-9(11)14-17-13-8/h7H,3-6H2,1-2H3,(H2,11,14)(H,12,15)
InChIKeyCTOXSTWMIIWELR-UHFFFAOYSA-N
XLogP0.44
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(2-methylpropoxy)propyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[3-(2-methylpropoxy)propyl]-1,2,5-oxadiazole-3-carboxamide (CID 55103467) is 4-amino-N-[3-(2-methylpropoxy)propyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(2-methylpropoxy)propyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-(2-methylpropoxy)propyl]-1,2,5-oxadiazole-3-carboxamide is CC(C)COCCCNC(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-[3-(2-methylpropoxy)propyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is CTOXSTWMIIWELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-7(2)6-16-5-3-4-12-10(15)8-9(11)14-17-13-8/h7H,3-6H2,1-2H3,(H2,11,14)(H,12,15).
What are the key properties of 4-amino-N-[3-(2-methylpropoxy)propyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[3-(2-methylpropoxy)propyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(2-methylpropoxy)propyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 55103467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).