N-(2,4-dimethylphenyl)-2-[4-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide

C21H19N7O3S — CID 91891107

IUPACN-(2,4-dimethylphenyl)-2-[4-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCn3nnc(-c4nc(-c5ccsc5)no4)c3C2=O)c(C)c1
InChIInChI=1S/C21H19N7O3S/c1-12-3-4-15(13(2)9-12)22-16(29)10-27-6-7-28-18(21(27)30)17(24-26-28)20-23-19(25-31-20)14-5-8-32-11-14/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,22,29)
InChIKeyMVJIYZZHYNJZOQ-UHFFFAOYSA-N
MW449.50 g/mol
LogP2.77
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-[4-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide

N-(2,4-dimethylphenyl)-2-[4-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide (PubChem CID 91891107) has the molecular formula C21H19N7O3S and a molecular weight of 449.50 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[4-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[4-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide
PubChem CID91891107
Molecular FormulaC21H19N7O3S
Molecular Weight449.50 g/mol
Exact Mass449.13
IUPAC NameN-(2,4-dimethylphenyl)-2-[4-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCn3nnc(-c4nc(-c5ccsc5)no4)c3C2=O)c(C)c1
InChIInChI=1S/C21H19N7O3S/c1-12-3-4-15(13(2)9-12)22-16(29)10-27-6-7-28-18(21(27)30)17(24-26-28)20-23-19(25-31-20)14-5-8-32-11-14/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,22,29)
InChIKeyMVJIYZZHYNJZOQ-UHFFFAOYSA-N
XLogP2.77
TPSA119.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(2,4-dimethylphenyl)-2-[4-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide 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-(4-methylphenyl)-2-[4-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide
CID 91891089
5-[(2-fluorophenyl)methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-4-one
CID 91891140
(6R)-6-(2,4-dimethylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 99744240
N-(2,5-dimethylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17450335
N-(4-iodo-2-methylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134049053
N-(2,4-dimethylphenyl)-2-[2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)imidazol-1-yl]acetamide
CID 53178029
N-(2,4-dimethylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 53152283
5-[(3-fluorophenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-4-one
CID 91891120
2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 53367203
N-(2,4-dimethylphenyl)-2-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53152305
4-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49397345
N-(2,4-dimethylphenyl)-2-(2-thiophen-3-ylmorpholin-4-yl)acetamide
CID 71920146

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[4-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[4-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide (CID 91891107) is N-(2,4-dimethylphenyl)-2-[4-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[4-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[4-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide is Cc1ccc(NC(=O)CN2CCn3nnc(-c4nc(-c5ccsc5)no4)c3C2=O)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[4-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide?
The InChIKey is MVJIYZZHYNJZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O3S/c1-12-3-4-15(13(2)9-12)22-16(29)10-27-6-7-28-18(21(27)30)17(24-26-28)20-23-19(25-31-20)14-5-8-32-11-14/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,22,29).
What are the key properties of N-(2,4-dimethylphenyl)-2-[4-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[4-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide has a molecular weight of 449.50 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[4-oxo-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-5-yl]acetamide is sourced from PubChem (CID 91891107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).