N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide

C13H9N3O2 — CID 110728684

IUPACN-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc2ocnc2c1)c1ccncc1
InChIInChI=1S/C13H9N3O2/c17-13(9-3-5-14-6-4-9)16-10-1-2-12-11(7-10)15-8-18-12/h1-8H,(H,16,17)
InChIKeyKEROWDRYBPIANI-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.48
Rot. Bonds2

About N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide

N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide (PubChem CID 110728684) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide
PubChem CID110728684
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC NameN-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc2ocnc2c1)c1ccncc1
InChIInChI=1S/C13H9N3O2/c17-13(9-3-5-14-6-4-9)16-10-1-2-12-11(7-10)15-8-18-12/h1-8H,(H,16,17)
InChIKeyKEROWDRYBPIANI-UHFFFAOYSA-N
XLogP2.48
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388187
N-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide
CID 110388239
N-(1,3-benzoxazol-5-yl)-2-methylbenzamide
CID 110728649
N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide
CID 108795166
N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388195
N-(1,3-benzoxazol-6-yl)pyridine-3-carboxamide;hydrochloride
CID 110778910
N-(1,3-benzoxazol-5-yl)-5-bromopyrazine-2-carboxamide
CID 112525478
N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide
CID 115161080
N-(1,3-benzoxazol-6-yl)-2-(hydroxymethyl)pyridine-4-carboxamide
CID 115116039
N-(1,3-benzoxazol-5-yl)-4-(thiazepan-2-yl)benzamide
CID 144621535
N-(1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 110728668
N-(3-methoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388202

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide (CID 110728684) is N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide is O=C(Nc1ccc2ocnc2c1)c1ccncc1.
What is the InChIKey of N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide?
The InChIKey is KEROWDRYBPIANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-13(9-3-5-14-6-4-9)16-10-1-2-12-11(7-10)15-8-18-12/h1-8H,(H,16,17).
What are the key properties of N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide?
N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide has a molecular weight of 239.23 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 110728684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).