5-(2-aminophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide

C16H18N4O2 — CID 22350867

IUPAC5-(2-aminophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide
SMILESNc1ccccc1-c1cnc(C(=O)NC2CC3CNC2C3)o1
InChIInChI=1S/C16H18N4O2/c17-11-4-2-1-3-10(11)14-8-19-16(22-14)15(21)20-13-6-9-5-12(13)18-7-9/h1-4,8-9,12-13,18H,5-7,17H2,(H,20,21)
InChIKeyFZPJWRCYIQRDFV-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.40
Rot. Bonds3

About 5-(2-aminophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide

5-(2-aminophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide (PubChem CID 22350867) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-(2-aminophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-aminophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide
PubChem CID22350867
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name5-(2-aminophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide
SMILESNc1ccccc1-c1cnc(C(=O)NC2CC3CNC2C3)o1
InChIInChI=1S/C16H18N4O2/c17-11-4-2-1-3-10(11)14-8-19-16(22-14)15(21)20-13-6-9-5-12(13)18-7-9/h1-4,8-9,12-13,18H,5-7,17H2,(H,20,21)
InChIKeyFZPJWRCYIQRDFV-UHFFFAOYSA-N
XLogP1.40
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-(2-aminophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide (CID 22350867) is 5-(2-aminophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-(2-aminophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-(2-aminophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide is Nc1ccccc1-c1cnc(C(=O)NC2CC3CNC2C3)o1.
What is the InChIKey of 5-(2-aminophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide?
The InChIKey is FZPJWRCYIQRDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c17-11-4-2-1-3-10(11)14-8-19-16(22-14)15(21)20-13-6-9-5-12(13)18-7-9/h1-4,8-9,12-13,18H,5-7,17H2,(H,20,21).
What are the key properties of 5-(2-aminophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide?
5-(2-aminophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminophenyl)-N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 22350867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).