N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide

C18H12N4O2 — CID 774915

IUPACN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccncc1
InChIInChI=1S/C18H12N4O2/c23-17(12-5-8-19-9-6-12)21-14-3-4-16-15(10-14)22-18(24-16)13-2-1-7-20-11-13/h1-11H,(H,21,23)
InChIKeyZOWHNCHESFOYMB-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.54
Rot. Bonds3

About N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide

N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide (PubChem CID 774915) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide
PubChem CID774915
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC NameN-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccncc1
InChIInChI=1S/C18H12N4O2/c23-17(12-5-8-19-9-6-12)21-14-3-4-16-15(10-14)22-18(24-16)13-2-1-7-20-11-13/h1-11H,(H,21,23)
InChIKeyZOWHNCHESFOYMB-UHFFFAOYSA-N
XLogP3.54
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide (CID 774915) is N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide is O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccncc1.
What is the InChIKey of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide?
The InChIKey is ZOWHNCHESFOYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c23-17(12-5-8-19-9-6-12)21-14-3-4-16-15(10-14)22-18(24-16)13-2-1-7-20-11-13/h1-11H,(H,21,23).
What are the key properties of N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide?
N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 774915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).