3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide

C18H13N5O3 — CID 166302069

IUPAC3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide
SMILESO=C(Nc1cn[nH]c1-c1ccccc1)c1cccc(-c2noc(=O)[nH]2)c1
InChIInChI=1S/C18H13N5O3/c24-17(13-8-4-7-12(9-13)16-21-18(25)26-23-16)20-14-10-19-22-15(14)11-5-2-1-3-6-11/h1-10H,(H,19,22)(H,20,24)(H,21,23,25)
InChIKeyAABPIPLJYQXCGG-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.67
Rot. Bonds4

About 3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide

3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide (PubChem CID 166302069) has the molecular formula C18H13N5O3 and a molecular weight of 347.33 g/mol. Its IUPAC name is 3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide
PubChem CID166302069
Molecular FormulaC18H13N5O3
Molecular Weight347.33 g/mol
Exact Mass347.10
IUPAC Name3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide
SMILESO=C(Nc1cn[nH]c1-c1ccccc1)c1cccc(-c2noc(=O)[nH]2)c1
InChIInChI=1S/C18H13N5O3/c24-17(13-8-4-7-12(9-13)16-21-18(25)26-23-16)20-14-10-19-22-15(14)11-5-2-1-3-6-11/h1-10H,(H,19,22)(H,20,24)(H,21,23,25)
InChIKeyAABPIPLJYQXCGG-UHFFFAOYSA-N
XLogP2.67
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide (CID 166302069) is 3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide is O=C(Nc1cn[nH]c1-c1ccccc1)c1cccc(-c2noc(=O)[nH]2)c1.
What is the InChIKey of 3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide?
The InChIKey is AABPIPLJYQXCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O3/c24-17(13-8-4-7-12(9-13)16-21-18(25)26-23-16)20-14-10-19-22-15(14)11-5-2-1-3-6-11/h1-10H,(H,19,22)(H,20,24)(H,21,23,25).
What are the key properties of 3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide?
3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide has a molecular weight of 347.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 166302069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).