1-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide

C22H26N4O5 — CID 55672487

IUPAC1-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(C2(NC(=O)C3CC(=O)N(c4ccc5c(c4)OCO5)C3)CCCCCC2)no1
InChIInChI=1S/C22H26N4O5/c1-14-23-21(25-31-14)22(8-4-2-3-5-9-22)24-20(28)15-10-19(27)26(12-15)16-6-7-17-18(11-16)30-13-29-17/h6-7,11,15H,2-5,8-10,12-13H2,1H3,(H,24,28)
InChIKeyJUBBLPWTYRWYQQ-UHFFFAOYSA-N
MW426.47 g/mol
LogP2.83
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide

1-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55672487) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55672487
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(C2(NC(=O)C3CC(=O)N(c4ccc5c(c4)OCO5)C3)CCCCCC2)no1
InChIInChI=1S/C22H26N4O5/c1-14-23-21(25-31-14)22(8-4-2-3-5-9-22)24-20(28)15-10-19(27)26(12-15)16-6-7-17-18(11-16)30-13-29-17/h6-7,11,15H,2-5,8-10,12-13H2,1H3,(H,24,28)
InChIKeyJUBBLPWTYRWYQQ-UHFFFAOYSA-N
XLogP2.83
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55621973
1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide
CID 55672653
1-(1,3-benzodioxol-5-yl)-N-(1-cyanocyclopentyl)-5-oxopyrrolidine-3-carboxamide
CID 154774723
1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 75366107
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55700523
1-(1,3-benzodioxol-5-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108743602
3-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
CID 31164348
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]cyclopentanecarboxamide
CID 35781179
N-[1-(aminomethyl)cyclopentyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 119565864
1-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 84503527
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,4-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 60615197
1-(1,3-benzodioxol-5-yl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 84503528

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide (CID 55672487) is 1-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide is Cc1nc(C2(NC(=O)C3CC(=O)N(c4ccc5c(c4)OCO5)C3)CCCCCC2)no1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JUBBLPWTYRWYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-14-23-21(25-31-14)22(8-4-2-3-5-9-22)24-20(28)15-10-19(27)26(12-15)16-6-7-17-18(11-16)30-13-29-17/h6-7,11,15H,2-5,8-10,12-13H2,1H3,(H,24,28).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55672487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).