4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylbenzamide

C15H11N3O3 — CID 167966446

IUPAC4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2noc(=O)[nH]2)cc1
InChIInChI=1S/C15H11N3O3/c19-14(16-12-4-2-1-3-5-12)11-8-6-10(7-9-11)13-17-15(20)21-18-13/h1-9H,(H,16,19)(H,17,18,20)
InChIKeyUHMUGYRDHQCORK-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.28
Rot. Bonds3

About 4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylbenzamide

4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylbenzamide (PubChem CID 167966446) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylbenzamide.

Molecular Properties

Compound Name4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylbenzamide
PubChem CID167966446
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2noc(=O)[nH]2)cc1
InChIInChI=1S/C15H11N3O3/c19-14(16-12-4-2-1-3-5-12)11-8-6-10(7-9-11)13-17-15(20)21-18-13/h1-9H,(H,16,19)(H,17,18,20)
InChIKeyUHMUGYRDHQCORK-UHFFFAOYSA-N
XLogP2.28
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylpyrrole-2-carboxamide
CID 146146605
5-methyl-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide
CID 155946723
N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide
CID 136710911
N-(3-methylphenyl)-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide
CID 167525503
3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide
CID 166302069
N-(4-anilinophenyl)-4-phenylbenzamide
CID 3363408
2-(2-methoxyphenoxy)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 167860661
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
4-chloro-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
CID 164517199
molecular hydrogen;N-phenylbenzamide
CID 145238042
4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride
CID 163329221

Frequently Asked Questions

What is the IUPAC name of 4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylbenzamide?
The IUPAC name of 4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylbenzamide (CID 167966446) is 4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylbenzamide.
What is the SMILES notation for 4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylbenzamide?
The canonical SMILES for 4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(-c2noc(=O)[nH]2)cc1.
What is the InChIKey of 4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylbenzamide?
The InChIKey is UHMUGYRDHQCORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-14(16-12-4-2-1-3-5-12)11-8-6-10(7-9-11)13-17-15(20)21-18-13/h1-9H,(H,16,19)(H,17,18,20).
What are the key properties of 4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylbenzamide?
4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylbenzamide has a molecular weight of 281.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylbenzamide is sourced from PubChem (CID 167966446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).