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

C19H14N4O2 — CID 92574158

IUPACN-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESO=C(NCc1nnc(-c2nccc3ccccc23)o1)c1ccccc1
InChIInChI=1S/C19H14N4O2/c24-18(14-7-2-1-3-8-14)21-12-16-22-23-19(25-16)17-15-9-5-4-6-13(15)10-11-20-17/h1-11H,12H2,(H,21,24)
InChIKeyNHIDEAAYFIRITE-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.21
Rot. Bonds4

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

N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 92574158) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID92574158
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC NameN-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESO=C(NCc1nnc(-c2nccc3ccccc23)o1)c1ccccc1
InChIInChI=1S/C19H14N4O2/c24-18(14-7-2-1-3-8-14)21-12-16-22-23-19(25-16)17-15-9-5-4-6-13(15)10-11-20-17/h1-11H,12H2,(H,21,24)
InChIKeyNHIDEAAYFIRITE-UHFFFAOYSA-N
XLogP3.21
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide
CID 92576803
N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide
CID 92566290
N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanecarboxamide
CID 92576796
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319667
N-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110318958
2-(ethoxymethyl)-5-isoquinolin-1-yl-1,3,4-oxadiazole
CID 154793562
N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide
CID 110319287
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-3-methoxybenzamide
CID 98076100
4-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319256
2-fluoro-N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318527
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 50954392
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]pyridine-2-carboxamide
CID 98076075

Frequently Asked Questions

What is the IUPAC name of N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 92574158) is N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is O=C(NCc1nnc(-c2nccc3ccccc23)o1)c1ccccc1.
What is the InChIKey of N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is NHIDEAAYFIRITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c24-18(14-7-2-1-3-8-14)21-12-16-22-23-19(25-16)17-15-9-5-4-6-13(15)10-11-20-17/h1-11H,12H2,(H,21,24).
What are the key properties of N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 330.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 92574158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).