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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Related Compounds

N-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]-1-benzofuran-5-carboxamide
CID 98096202
N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-ethynyl-1-benzofuran-6-carboxamide
CID 10125404
N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyano-1-benzofuran-5-carboxamide
CID 10125410
N-(2,6-dioxopiperidin-3-yl)-1,3-benzoxazole-5-carboxamide
CID 154810751
N-(2-azabicyclo[2.2.1]heptan-6-yl)furo[2,3-c]pyridine-5-carboxamide
CID 22389421
4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
CID 22573564
4-(4-aminophenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
CID 22573369
4-(4-aminophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
CID 22573762
N-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-a]pyridine-7-carboxamide
CID 99719092
N-(2-azabicyclo[2.2.1]heptan-6-yl)-4-(3-methoxyphenyl)sulfanylbenzamide
CID 22573441
4-(4-acetamidophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
CID 22573526
N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-1,3-oxazole-2-carboxamide
CID 22350376

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).