N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C25H22N4O5 — CID 90563376

IUPACN-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccccc3Cc3nc(-c4ccco4)no3)CC2=O)cc1
InChIInChI=1S/C25H22N4O5/c1-32-19-10-8-18(9-11-19)29-15-17(14-23(29)30)25(31)26-20-6-3-2-5-16(20)13-22-27-24(28-34-22)21-7-4-12-33-21/h2-12,17H,13-15H2,1H3,(H,26,31)
InChIKeyGHJAXSOFRCZVPX-UHFFFAOYSA-N
MW458.47 g/mol
LogP3.92
Rot. Bonds7

About N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 90563376) has the molecular formula C25H22N4O5 and a molecular weight of 458.47 g/mol. Its IUPAC name is N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID90563376
Molecular FormulaC25H22N4O5
Molecular Weight458.47 g/mol
Exact Mass458.16
IUPAC NameN-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccccc3Cc3nc(-c4ccco4)no3)CC2=O)cc1
InChIInChI=1S/C25H22N4O5/c1-32-19-10-8-18(9-11-19)29-15-17(14-23(29)30)25(31)26-20-6-3-2-5-16(20)13-22-27-24(28-34-22)21-7-4-12-33-21/h2-12,17H,13-15H2,1H3,(H,26,31)
InChIKeyGHJAXSOFRCZVPX-UHFFFAOYSA-N
XLogP3.92
TPSA110.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 90563374
(3S)-1-(4-fluorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 97427101
1-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 90563377
(3R)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92703521
(3R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92736384
(3R)-N-(2-cyanophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7477759
(3S)-1-(4-ethoxyphenyl)-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1085389
(3R)-N-[3-(furan-2-yl)-1,2-oxazol-5-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95095083
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3S)-N-(4-benzamido-2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42588888
2-(4-chlorophenoxy)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]acetamide
CID 90563338
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-3-methyloxetane-3-carboxamide
CID 146022520

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 90563376) is N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)Nc3ccccc3Cc3nc(-c4ccco4)no3)CC2=O)cc1.
What is the InChIKey of N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GHJAXSOFRCZVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O5/c1-32-19-10-8-18(9-11-19)29-15-17(14-23(29)30)25(31)26-20-6-3-2-5-16(20)13-22-27-24(28-34-22)21-7-4-12-33-21/h2-12,17H,13-15H2,1H3,(H,26,31).
What are the key properties of N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 458.47 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90563376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).