N-[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3-methylpyrazol-1-yl)acetamide

C20H28N6O3 — CID 171144833

IUPACN-[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)NC2CC3CN(C(=O)C(C)C)CC3(c3nc(C)no3)C2)n1
InChIInChI=1S/C20H28N6O3/c1-12(2)18(28)25-9-15-7-16(22-17(27)10-26-6-5-13(3)23-26)8-20(15,11-25)19-21-14(4)24-29-19/h5-6,12,15-16H,7-11H2,1-4H3,(H,22,27)
InChIKeyVLGZWTLJMIRWNS-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.21
Rot. Bonds5

About N-[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3-methylpyrazol-1-yl)acetamide

N-[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3-methylpyrazol-1-yl)acetamide (PubChem CID 171144833) has the molecular formula C20H28N6O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3-methylpyrazol-1-yl)acetamide
PubChem CID171144833
Molecular FormulaC20H28N6O3
Molecular Weight400.48 g/mol
Exact Mass400.22
IUPAC NameN-[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)NC2CC3CN(C(=O)C(C)C)CC3(c3nc(C)no3)C2)n1
InChIInChI=1S/C20H28N6O3/c1-12(2)18(28)25-9-15-7-16(22-17(27)10-26-6-5-13(3)23-26)8-20(15,11-25)19-21-14(4)24-29-19/h5-6,12,15-16H,7-11H2,1-4H3,(H,22,27)
InChIKeyVLGZWTLJMIRWNS-UHFFFAOYSA-N
XLogP1.21
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3-methylpyrazol-1-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

Frequently Asked Questions

What is the IUPAC name of N-[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3-methylpyrazol-1-yl)acetamide (CID 171144833) is N-[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3-methylpyrazol-1-yl)acetamide is Cc1ccn(CC(=O)NC2CC3CN(C(=O)C(C)C)CC3(c3nc(C)no3)C2)n1.
What is the InChIKey of N-[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3-methylpyrazol-1-yl)acetamide?
The InChIKey is VLGZWTLJMIRWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O3/c1-12(2)18(28)25-9-15-7-16(22-17(27)10-26-6-5-13(3)23-26)8-20(15,11-25)19-21-14(4)24-29-19/h5-6,12,15-16H,7-11H2,1-4H3,(H,22,27).
What are the key properties of N-[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3-methylpyrazol-1-yl)acetamide?
N-[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3-methylpyrazol-1-yl)acetamide has a molecular weight of 400.48 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-(3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 171144833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).