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

C21H16N4O3 — CID 135429453

IUPACN-[3-hydroxy-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
SMILESCc1cccnc1-c1noc(-c2ccc(NC(=O)c3ccccc3)cc2O)n1
InChIInChI=1S/C21H16N4O3/c1-13-6-5-11-22-18(13)19-24-21(28-25-19)16-10-9-15(12-17(16)26)23-20(27)14-7-3-2-4-8-14/h2-12,26H,1H3,(H,23,27)
InChIKeyOQCISKZCDKDMES-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.06
Rot. Bonds4

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

N-[3-hydroxy-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide (PubChem CID 135429453) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[3-hydroxy-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
PubChem CID135429453
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC NameN-[3-hydroxy-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
SMILESCc1cccnc1-c1noc(-c2ccc(NC(=O)c3ccccc3)cc2O)n1
InChIInChI=1S/C21H16N4O3/c1-13-6-5-11-22-18(13)19-24-21(28-25-19)16-10-9-15(12-17(16)26)23-20(27)14-7-3-2-4-8-14/h2-12,26H,1H3,(H,23,27)
InChIKeyOQCISKZCDKDMES-UHFFFAOYSA-N
XLogP4.06
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-hydroxy-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The IUPAC name of N-[3-hydroxy-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide (CID 135429453) is N-[3-hydroxy-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide.
What is the SMILES notation for N-[3-hydroxy-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The canonical SMILES for N-[3-hydroxy-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide is Cc1cccnc1-c1noc(-c2ccc(NC(=O)c3ccccc3)cc2O)n1.
What is the InChIKey of N-[3-hydroxy-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The InChIKey is OQCISKZCDKDMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c1-13-6-5-11-22-18(13)19-24-21(28-25-19)16-10-9-15(12-17(16)26)23-20(27)14-7-3-2-4-8-14/h2-12,26H,1H3,(H,23,27).
What are the key properties of N-[3-hydroxy-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
N-[3-hydroxy-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide has a molecular weight of 372.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 135429453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).