N-[2-oxo-2-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]benzamide

C22H18N6O3 — CID 121129660

IUPACN-[2-oxo-2-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1ccccc1Cc1nc(-c2cnccn2)no1
InChIInChI=1S/C22H18N6O3/c29-19(14-25-22(30)15-6-2-1-3-7-15)26-17-9-5-4-8-16(17)12-20-27-21(28-31-20)18-13-23-10-11-24-18/h1-11,13H,12,14H2,(H,25,30)(H,26,29)
InChIKeyWOFVWGVKRVVRGK-UHFFFAOYSA-N
MW414.43 g/mol
LogP2.49
Rot. Bonds7

About N-[2-oxo-2-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]benzamide

N-[2-oxo-2-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]benzamide (PubChem CID 121129660) has the molecular formula C22H18N6O3 and a molecular weight of 414.43 g/mol. Its IUPAC name is N-[2-oxo-2-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]benzamide
PubChem CID121129660
Molecular FormulaC22H18N6O3
Molecular Weight414.43 g/mol
Exact Mass414.14
IUPAC NameN-[2-oxo-2-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1ccccc1Cc1nc(-c2cnccn2)no1
InChIInChI=1S/C22H18N6O3/c29-19(14-25-22(30)15-6-2-1-3-7-15)26-17-9-5-4-8-16(17)12-20-27-21(28-31-20)18-13-23-10-11-24-18/h1-11,13H,12,14H2,(H,25,30)(H,26,29)
InChIKeyWOFVWGVKRVVRGK-UHFFFAOYSA-N
XLogP2.49
TPSA122.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-oxo-2-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]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-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide
CID 71800425
N-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 121129867
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazine-2-carboxamide
CID 90562990
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazine-2-carboxamide
CID 90562098
benzyl N-[2-oxo-2-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]carbamate
CID 90562603
N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108925269
N-[2-(2-ethylanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 27762226
2-ethoxy-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 71800533
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90562852
N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 90563058
N-[2-[2-(aminomethyl)anilino]-2-oxoethyl]benzamide
CID 64882514
2-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 90562819

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]benzamide (CID 121129660) is N-[2-oxo-2-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]benzamide is O=C(CNC(=O)c1ccccc1)Nc1ccccc1Cc1nc(-c2cnccn2)no1.
What is the InChIKey of N-[2-oxo-2-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]benzamide?
The InChIKey is WOFVWGVKRVVRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O3/c29-19(14-25-22(30)15-6-2-1-3-7-15)26-17-9-5-4-8-16(17)12-20-27-21(28-31-20)18-13-23-10-11-24-18/h1-11,13H,12,14H2,(H,25,30)(H,26,29).
What are the key properties of N-[2-oxo-2-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]benzamide?
N-[2-oxo-2-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]benzamide has a molecular weight of 414.43 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[2-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]benzamide is sourced from PubChem (CID 121129660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).