N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

C24H32N4O6 — CID 55621973

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)NC3(c4noc(C)n4)CCCCCC3)CC2=O)cc(OC)c1OC
InChIInChI=1S/C24H32N4O6/c1-15-25-23(27-34-15)24(9-7-5-6-8-10-24)26-22(30)16-11-20(29)28(14-16)17-12-18(31-2)21(33-4)19(13-17)32-3/h12-13,16H,5-11,14H2,1-4H3,(H,26,30)
InChIKeyRCOINTUSGDVFSU-UHFFFAOYSA-N
MW472.54 g/mol
LogP3.12
Rot. Bonds7

About N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 55621973) has the molecular formula C24H32N4O6 and a molecular weight of 472.54 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID55621973
Molecular FormulaC24H32N4O6
Molecular Weight472.54 g/mol
Exact Mass472.23
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)NC3(c4noc(C)n4)CCCCCC3)CC2=O)cc(OC)c1OC
InChIInChI=1S/C24H32N4O6/c1-15-25-23(27-34-15)24(9-7-5-6-8-10-24)26-22(30)16-11-20(29)28(14-16)17-12-18(31-2)21(33-4)19(13-17)32-3/h12-13,16H,5-11,14H2,1-4H3,(H,26,30)
InChIKeyRCOINTUSGDVFSU-UHFFFAOYSA-N
XLogP3.12
TPSA116.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide
CID 55672487
1-(2-ethoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxopyrrolidine-3-carboxamide
CID 55672653
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 47729955
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]cyclopentanecarboxamide
CID 35781179
N-(6-methyl-2-pyridinyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578122
N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide
CID 31164048
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide
CID 55672305
N-(2,4-dioxoimidazolidin-1-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55628616
2,2-dichloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]cyclopropane-1-carboxamide
CID 78863893
methyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate
CID 55609562
5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 55709359

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (CID 55621973) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is COc1cc(N2CC(C(=O)NC3(c4noc(C)n4)CCCCCC3)CC2=O)cc(OC)c1OC.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is RCOINTUSGDVFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O6/c1-15-25-23(27-34-15)24(9-7-5-6-8-10-24)26-22(30)16-11-20(29)28(14-16)17-12-18(31-2)21(33-4)19(13-17)32-3/h12-13,16H,5-11,14H2,1-4H3,(H,26,30).
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 472.54 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55621973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).