N-benzyl-1,2,5-oxadiazole-3-carboxamide

C10H9N3O2 — CID 84578914

IUPACN-benzyl-1,2,5-oxadiazole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cnon1
InChIInChI=1S/C10H9N3O2/c14-10(9-7-12-15-13-9)11-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,14)
InChIKeyMQOOSBAYQDMKJF-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.00
Rot. Bonds3

About N-benzyl-1,2,5-oxadiazole-3-carboxamide

N-benzyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 84578914) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is N-benzyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID84578914
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC NameN-benzyl-1,2,5-oxadiazole-3-carboxamide
SMILESO=C(NCc1ccccc1)c1cnon1
InChIInChI=1S/C10H9N3O2/c14-10(9-7-12-15-13-9)11-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,14)
InChIKeyMQOOSBAYQDMKJF-UHFFFAOYSA-N
XLogP1.00
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-benzyl-1,2,5-oxadiazole-3-carboxamide (CID 84578914) is N-benzyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-benzyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-benzyl-1,2,5-oxadiazole-3-carboxamide is O=C(NCc1ccccc1)c1cnon1.
What is the InChIKey of N-benzyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is MQOOSBAYQDMKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c14-10(9-7-12-15-13-9)11-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,11,14).
What are the key properties of N-benzyl-1,2,5-oxadiazole-3-carboxamide?
N-benzyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 203.20 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 84578914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).