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

C23H30N4O5 — CID 171144776

IUPACN-[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC3CN(C(=O)C(C)C)CC3(c3nc(C)no3)C2)c(OC)c1
InChIInChI=1S/C23H30N4O5/c1-13(2)21(29)27-11-15-8-16(10-23(15,12-27)22-24-14(3)26-32-22)25-20(28)18-7-6-17(30-4)9-19(18)31-5/h6-7,9,13,15-16H,8,10-12H2,1-5H3,(H,25,28)
InChIKeyVCTXQTOSJNQRFF-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.34
Rot. Bonds6

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]-2,4-dimethoxybenzamide

N-[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2,4-dimethoxybenzamide (PubChem CID 171144776) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 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]-2,4-dimethoxybenzamide.

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]-2,4-dimethoxybenzamide
PubChem CID171144776
Molecular FormulaC23H30N4O5
Molecular Weight442.52 g/mol
Exact Mass442.22
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]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC3CN(C(=O)C(C)C)CC3(c3nc(C)no3)C2)c(OC)c1
InChIInChI=1S/C23H30N4O5/c1-13(2)21(29)27-11-15-8-16(10-23(15,12-27)22-24-14(3)26-32-22)25-20(28)18-7-6-17(30-4)9-19(18)31-5/h6-7,9,13,15-16H,8,10-12H2,1-5H3,(H,25,28)
InChIKeyVCTXQTOSJNQRFF-UHFFFAOYSA-N
XLogP2.34
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.34
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]-2,4-dimethoxybenzamide with MolForge

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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]-2,4-dimethoxybenzamide?
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]-2,4-dimethoxybenzamide (CID 171144776) 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]-2,4-dimethoxybenzamide.
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]-2,4-dimethoxybenzamide?
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]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NC2CC3CN(C(=O)C(C)C)CC3(c3nc(C)no3)C2)c(OC)c1.
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]-2,4-dimethoxybenzamide?
The InChIKey is VCTXQTOSJNQRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-13(2)21(29)27-11-15-8-16(10-23(15,12-27)22-24-14(3)26-32-22)25-20(28)18-7-6-17(30-4)9-19(18)31-5/h6-7,9,13,15-16H,8,10-12H2,1-5H3,(H,25,28).
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]-2,4-dimethoxybenzamide?
N-[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2,4-dimethoxybenzamide has a molecular weight of 442.52 g/mol, XLogP of 2.34, 6 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]-2,4-dimethoxybenzamide is sourced from PubChem (CID 171144776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).