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

C19H13N3O2 — CID 878309

IUPACN-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccncc1
InChIInChI=1S/C19H13N3O2/c23-18(13-8-10-20-11-9-13)21-15-6-7-17-16(12-15)22-19(24-17)14-4-2-1-3-5-14/h1-12H,(H,21,23)
InChIKeyVMSCOTBVJFHEJL-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.14
Rot. Bonds3

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

N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide (PubChem CID 878309) has the molecular formula C19H13N3O2 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide
PubChem CID878309
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC NameN-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccncc1
InChIInChI=1S/C19H13N3O2/c23-18(13-8-10-20-11-9-13)21-15-6-7-17-16(12-15)22-19(24-17)14-4-2-1-3-5-14/h1-12H,(H,21,23)
InChIKeyVMSCOTBVJFHEJL-UHFFFAOYSA-N
XLogP4.14
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide (CID 878309) is N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide is O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccncc1.
What is the InChIKey of N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide?
The InChIKey is VMSCOTBVJFHEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-18(13-8-10-20-11-9-13)21-15-6-7-17-16(12-15)22-19(24-17)14-4-2-1-3-5-14/h1-12H,(H,21,23).
What are the key properties of N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide?
N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 878309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).