N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide

C19H13N3O3 — CID 4516930

IUPACN-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1cccnc1
InChIInChI=1S/C19H13N3O3/c23-16-8-7-13(21-18(24)12-4-3-9-20-11-12)10-14(16)19-22-15-5-1-2-6-17(15)25-19/h1-11,23H,(H,21,24)
InChIKeyZVTWHPLBOAIGSQ-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.85
Rot. Bonds3

About N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide

N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide (PubChem CID 4516930) has the molecular formula C19H13N3O3 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide
PubChem CID4516930
Molecular FormulaC19H13N3O3
Molecular Weight331.33 g/mol
Exact Mass331.10
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1cccnc1
InChIInChI=1S/C19H13N3O3/c23-16-8-7-13(21-18(24)12-4-3-9-20-11-12)10-14(16)19-22-15-5-1-2-6-17(15)25-19/h1-11,23H,(H,21,24)
InChIKeyZVTWHPLBOAIGSQ-UHFFFAOYSA-N
XLogP3.85
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide (CID 4516930) is N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide is O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1cccnc1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide?
The InChIKey is ZVTWHPLBOAIGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3/c23-16-8-7-13(21-18(24)12-4-3-9-20-11-12)10-14(16)19-22-15-5-1-2-6-17(15)25-19/h1-11,23H,(H,21,24).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide?
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide has a molecular weight of 331.33 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 4516930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).