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

C14H15N3O2 — CID 10214645

IUPACN-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-benzoxazole-5-carboxamide
SMILESO=C(NC1CC2CNC1C2)c1ccc2ocnc2c1
InChIInChI=1S/C14H15N3O2/c18-14(17-11-4-8-3-10(11)15-6-8)9-1-2-13-12(5-9)16-7-19-13/h1-2,5,7-8,10-11,15H,3-4,6H2,(H,17,18)
InChIKeyRBRGJQYITJRVOP-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.31
Rot. Bonds2

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

N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-benzoxazole-5-carboxamide (PubChem CID 10214645) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-benzoxazole-5-carboxamide
PubChem CID10214645
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-benzoxazole-5-carboxamide
SMILESO=C(NC1CC2CNC1C2)c1ccc2ocnc2c1
InChIInChI=1S/C14H15N3O2/c18-14(17-11-4-8-3-10(11)15-6-8)9-1-2-13-12(5-9)16-7-19-13/h1-2,5,7-8,10-11,15H,3-4,6H2,(H,17,18)
InChIKeyRBRGJQYITJRVOP-UHFFFAOYSA-N
XLogP1.31
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-benzoxazole-5-carboxamide (CID 10214645) is N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-benzoxazole-5-carboxamide is O=C(NC1CC2CNC1C2)c1ccc2ocnc2c1.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is RBRGJQYITJRVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(17-11-4-8-3-10(11)15-6-8)9-1-2-13-12(5-9)16-7-19-13/h1-2,5,7-8,10-11,15H,3-4,6H2,(H,17,18).
What are the key properties of N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-benzoxazole-5-carboxamide?
N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 10214645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).