2-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide

C24H26N6O2S — CID 50761128

IUPAC2-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)Cn1nc(SC)c(-c2nc(-c3ccc(C)cc3)no2)c1N)c1cccc(C)c1
InChIInChI=1S/C24H26N6O2S/c1-5-29(18-8-6-7-16(3)13-18)19(31)14-30-21(25)20(24(27-30)33-4)23-26-22(28-32-23)17-11-9-15(2)10-12-17/h6-13H,5,14,25H2,1-4H3
InChIKeyXUXRWMFNKUNYSN-UHFFFAOYSA-N
MW462.58 g/mol
LogP4.57
Rot. Bonds7

About 2-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide

2-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide (PubChem CID 50761128) has the molecular formula C24H26N6O2S and a molecular weight of 462.58 g/mol. Its IUPAC name is 2-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide
PubChem CID50761128
Molecular FormulaC24H26N6O2S
Molecular Weight462.58 g/mol
Exact Mass462.18
IUPAC Name2-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)Cn1nc(SC)c(-c2nc(-c3ccc(C)cc3)no2)c1N)c1cccc(C)c1
InChIInChI=1S/C24H26N6O2S/c1-5-29(18-8-6-7-16(3)13-18)19(31)14-30-21(25)20(24(27-30)33-4)23-26-22(28-32-23)17-11-9-15(2)10-12-17/h6-13H,5,14,25H2,1-4H3
InChIKeyXUXRWMFNKUNYSN-UHFFFAOYSA-N
XLogP4.57
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-ethyl-N-(3-methylphenyl)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

2-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(2-ethylphenyl)acetamide
CID 50742983
2-[5-amino-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(2-methylphenyl)acetamide
CID 50760671
2-[5-amino-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 50760831
2-[5-amino-3-methylsulfanyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 50760774
2-[5-amino-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 50761108
2-[5-amino-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 50760815
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 51366711
2-[5-amino-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-[(2S)-butan-2-yl]acetamide
CID 94117907
2-[5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 53132567
2-[5-amino-3-methylsulfanyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide
CID 50760881
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 50759805
2-[5-amino-4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-phenylacetamide
CID 42585182

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide (CID 50761128) is 2-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide is CCN(C(=O)Cn1nc(SC)c(-c2nc(-c3ccc(C)cc3)no2)c1N)c1cccc(C)c1.
What is the InChIKey of 2-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide?
The InChIKey is XUXRWMFNKUNYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S/c1-5-29(18-8-6-7-16(3)13-18)19(31)14-30-21(25)20(24(27-30)33-4)23-26-22(28-32-23)17-11-9-15(2)10-12-17/h6-13H,5,14,25H2,1-4H3.
What are the key properties of 2-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide?
2-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide has a molecular weight of 462.58 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 50761128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).