3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide

C20H14N4O2 — CID 50828682

IUPAC3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1cccc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C20H14N4O2/c25-19(22-17-11-4-5-12-21-17)15-9-6-10-16(13-15)20-23-18(24-26-20)14-7-2-1-3-8-14/h1-13H,(H,21,22,25)
InChIKeyIDSHRDBRXIZECX-UHFFFAOYSA-N
MW342.36 g/mol
LogP4.05
Rot. Bonds4

About 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide

3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide (PubChem CID 50828682) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide
PubChem CID50828682
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1cccc(-c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C20H14N4O2/c25-19(22-17-11-4-5-12-21-17)15-9-6-10-16(13-15)20-23-18(24-26-20)14-7-2-1-3-8-14/h1-13H,(H,21,22,25)
InChIKeyIDSHRDBRXIZECX-UHFFFAOYSA-N
XLogP4.05
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973288
N-(2-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50828728
N-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973301
N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide
CID 4972613
N-(1,3-benzodioxol-5-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50828830
2,3-diphenyl-N-pyridin-2-ylquinoxaline-6-carboxamide
CID 1034248
N-[(2S)-butan-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 92729267
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 3548444
N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973291
N-pyridin-2-yl-1-benzofuran-5-carboxamide
CID 90129476
3-(aminomethyl)-N-pyridin-2-ylbenzamide
CID 16774754

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide?
The IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide (CID 50828682) is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide is O=C(Nc1ccccn1)c1cccc(-c2nc(-c3ccccc3)no2)c1.
What is the InChIKey of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide?
The InChIKey is IDSHRDBRXIZECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c25-19(22-17-11-4-5-12-21-17)15-9-6-10-16(13-15)20-23-18(24-26-20)14-7-2-1-3-8-14/h1-13H,(H,21,22,25).
What are the key properties of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide?
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide has a molecular weight of 342.36 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 50828682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).