5-(2-azabicyclo[2.1.1]hexan-5-yl)-1,2,4-oxadiazole-3-carboxamide

C8H10N4O2 — CID 130820084

IUPAC5-(2-azabicyclo[2.1.1]hexan-5-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(C2C3CNC2C3)n1
InChIInChI=1S/C8H10N4O2/c9-6(13)7-11-8(14-12-7)5-3-1-4(5)10-2-3/h3-5,10H,1-2H2,(H2,9,13)
InChIKeyWYUNAVALBBDHPM-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.76
Rot. Bonds2

About 5-(2-azabicyclo[2.1.1]hexan-5-yl)-1,2,4-oxadiazole-3-carboxamide

5-(2-azabicyclo[2.1.1]hexan-5-yl)-1,2,4-oxadiazole-3-carboxamide (PubChem CID 130820084) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 5-(2-azabicyclo[2.1.1]hexan-5-yl)-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-azabicyclo[2.1.1]hexan-5-yl)-1,2,4-oxadiazole-3-carboxamide
PubChem CID130820084
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name5-(2-azabicyclo[2.1.1]hexan-5-yl)-1,2,4-oxadiazole-3-carboxamide
SMILESNC(=O)c1noc(C2C3CNC2C3)n1
InChIInChI=1S/C8H10N4O2/c9-6(13)7-11-8(14-12-7)5-3-1-4(5)10-2-3/h3-5,10H,1-2H2,(H2,9,13)
InChIKeyWYUNAVALBBDHPM-UHFFFAOYSA-N
XLogP-0.76
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2-azabicyclo[2.1.1]hexan-5-yl)-1,2,4-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-azabicyclo[2.1.1]hexan-5-yl)-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(2-azabicyclo[2.1.1]hexan-5-yl)-1,2,4-oxadiazole-3-carboxamide (CID 130820084) is 5-(2-azabicyclo[2.1.1]hexan-5-yl)-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(2-azabicyclo[2.1.1]hexan-5-yl)-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(2-azabicyclo[2.1.1]hexan-5-yl)-1,2,4-oxadiazole-3-carboxamide is NC(=O)c1noc(C2C3CNC2C3)n1.
What is the InChIKey of 5-(2-azabicyclo[2.1.1]hexan-5-yl)-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is WYUNAVALBBDHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c9-6(13)7-11-8(14-12-7)5-3-1-4(5)10-2-3/h3-5,10H,1-2H2,(H2,9,13).
What are the key properties of 5-(2-azabicyclo[2.1.1]hexan-5-yl)-1,2,4-oxadiazole-3-carboxamide?
5-(2-azabicyclo[2.1.1]hexan-5-yl)-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 194.19 g/mol, XLogP of -0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azabicyclo[2.1.1]hexan-5-yl)-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 130820084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).