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

C19H13N3O2 — CID 650941

IUPACN-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccnc1
InChIInChI=1S/C19H13N3O2/c23-18(14-7-4-10-20-12-14)21-15-8-9-17-16(11-15)22-19(24-17)13-5-2-1-3-6-13/h1-12H,(H,21,23)
InChIKeyBEYPRDRIWNKJAW-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.14
Rot. Bonds3

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

N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide (PubChem CID 650941) 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-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
PubChem CID650941
Molecular FormulaC19H13N3O2
Molecular Weight315.33 g/mol
Exact Mass315.10
IUPAC NameN-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccnc1
InChIInChI=1S/C19H13N3O2/c23-18(14-7-4-10-20-12-14)21-15-8-9-17-16(11-15)22-19(24-17)13-5-2-1-3-6-13/h1-12H,(H,21,23)
InChIKeyBEYPRDRIWNKJAW-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-3-carboxamide?
The IUPAC name of N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide (CID 650941) is N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide is O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccnc1.
What is the InChIKey of N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
The InChIKey is BEYPRDRIWNKJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2/c23-18(14-7-4-10-20-12-14)21-15-8-9-17-16(11-15)22-19(24-17)13-5-2-1-3-6-13/h1-12H,(H,21,23).
What are the key properties of N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-3-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-3-carboxamide is sourced from PubChem (CID 650941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).