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

C11H12N4O2 — CID 1263391

IUPAC4-amino-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCCc1ccccc1
InChIInChI=1S/C11H12N4O2/c12-10-9(14-17-15-10)11(16)13-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,15)(H,13,16)
InChIKeyKIIUFXBAFXHMJP-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.62
Rot. Bonds4

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

4-amino-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 1263391) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-amino-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID1263391
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name4-amino-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCCc1ccccc1
InChIInChI=1S/C11H12N4O2/c12-10-9(14-17-15-10)11(16)13-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,15)(H,13,16)
InChIKeyKIIUFXBAFXHMJP-UHFFFAOYSA-N
XLogP0.62
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide (CID 1263391) is 4-amino-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NCCc1ccccc1.
What is the InChIKey of 4-amino-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is KIIUFXBAFXHMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-10-9(14-17-15-10)11(16)13-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,15)(H,13,16).
What are the key properties of 4-amino-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-phenylethyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 1263391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).