N-pyridin-4-yl-1,2-benzoxazole-3-carboxamide

C13H9N3O2 — CID 155816713

IUPACN-pyridin-4-yl-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1ccncc1)c1noc2ccccc12
InChIInChI=1S/C13H9N3O2/c17-13(15-9-5-7-14-8-6-9)12-10-3-1-2-4-11(10)18-16-12/h1-8H,(H,14,15,17)
InChIKeyOLDOAIHQBYYJCF-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.48
Rot. Bonds2

About N-pyridin-4-yl-1,2-benzoxazole-3-carboxamide

N-pyridin-4-yl-1,2-benzoxazole-3-carboxamide (PubChem CID 155816713) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is N-pyridin-4-yl-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-pyridin-4-yl-1,2-benzoxazole-3-carboxamide
PubChem CID155816713
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC NameN-pyridin-4-yl-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1ccncc1)c1noc2ccccc12
InChIInChI=1S/C13H9N3O2/c17-13(15-9-5-7-14-8-6-9)12-10-3-1-2-4-11(10)18-16-12/h1-8H,(H,14,15,17)
InChIKeyOLDOAIHQBYYJCF-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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Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-pyridin-4-yl-1,2-benzoxazole-3-carboxamide (CID 155816713) is N-pyridin-4-yl-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-pyridin-4-yl-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-pyridin-4-yl-1,2-benzoxazole-3-carboxamide is O=C(Nc1ccncc1)c1noc2ccccc12.
What is the InChIKey of N-pyridin-4-yl-1,2-benzoxazole-3-carboxamide?
The InChIKey is OLDOAIHQBYYJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-13(15-9-5-7-14-8-6-9)12-10-3-1-2-4-11(10)18-16-12/h1-8H,(H,14,15,17).
What are the key properties of N-pyridin-4-yl-1,2-benzoxazole-3-carboxamide?
N-pyridin-4-yl-1,2-benzoxazole-3-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-pyridin-4-yl-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 155816713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).