N-(4-methyl-2-pyridinyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide

C21H16N4O2 — CID 50829216

IUPACN-(4-methyl-2-pyridinyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(-c3nc(-c4ccccc4)no3)cc2)c1
InChIInChI=1S/C21H16N4O2/c1-14-11-12-22-18(13-14)23-20(26)16-7-9-17(10-8-16)21-24-19(25-27-21)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23,26)
InChIKeyJDXMHUORTYGMFX-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.36
Rot. Bonds4

About N-(4-methyl-2-pyridinyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide

N-(4-methyl-2-pyridinyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 50829216) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID50829216
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC NameN-(4-methyl-2-pyridinyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(-c3nc(-c4ccccc4)no3)cc2)c1
InChIInChI=1S/C21H16N4O2/c1-14-11-12-22-18(13-14)23-20(26)16-7-9-17(10-8-16)21-24-19(25-27-21)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23,26)
InChIKeyJDXMHUORTYGMFX-UHFFFAOYSA-N
XLogP4.36
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (CID 50829216) is N-(4-methyl-2-pyridinyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is Cc1ccnc(NC(=O)c2ccc(-c3nc(-c4ccccc4)no3)cc2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is JDXMHUORTYGMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-14-11-12-22-18(13-14)23-20(26)16-7-9-17(10-8-16)21-24-19(25-27-21)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23,26).
What are the key properties of N-(4-methyl-2-pyridinyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
N-(4-methyl-2-pyridinyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 356.39 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 50829216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).