(4R)-1-(4-methylphenyl)-4-[3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

C23H23N5O2 — CID 95102309

IUPAC(4R)-1-(4-methylphenyl)-4-[3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCCCn1cnc2ccc(-c3noc([C@@H]4CC(=O)N(c5ccc(C)cc5)C4)n3)cc21
InChIInChI=1S/C23H23N5O2/c1-3-10-27-14-24-19-9-6-16(11-20(19)27)22-25-23(30-26-22)17-12-21(29)28(13-17)18-7-4-15(2)5-8-18/h4-9,11,14,17H,3,10,12-13H2,1-2H3/t17-/m1/s1
InChIKeyGLFIZYNJHBKRJM-QGZVFWFLSA-N
MW401.47 g/mol
LogP4.33
Rot. Bonds5

About (4R)-1-(4-methylphenyl)-4-[3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

(4R)-1-(4-methylphenyl)-4-[3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 95102309) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is (4R)-1-(4-methylphenyl)-4-[3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(4-methylphenyl)-4-[3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
PubChem CID95102309
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name(4R)-1-(4-methylphenyl)-4-[3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCCCn1cnc2ccc(-c3noc([C@@H]4CC(=O)N(c5ccc(C)cc5)C4)n3)cc21
InChIInChI=1S/C23H23N5O2/c1-3-10-27-14-24-19-9-6-16(11-20(19)27)22-25-23(30-26-22)17-12-21(29)28(13-17)18-7-4-15(2)5-8-18/h4-9,11,14,17H,3,10,12-13H2,1-2H3/t17-/m1/s1
InChIKeyGLFIZYNJHBKRJM-QGZVFWFLSA-N
XLogP4.33
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-1-phenyl-4-[3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 95075912
3-methyl-6-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1-propylquinoxalin-2-one
CID 53065236
(4S)-4-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 95075916
1,3-dimethyl-6-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 95067702
4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42891589
(4R)-1-(4-fluorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41014908
(4R)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586048
(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 41014813
(4R)-4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586046
(4S)-4-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 95094188
4-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(4-propylphenyl)pyrrolidin-2-one
CID 120893123
4-[3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 46378623

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-methylphenyl)-4-[3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(4-methylphenyl)-4-[3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 95102309) is (4R)-1-(4-methylphenyl)-4-[3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(4-methylphenyl)-4-[3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(4-methylphenyl)-4-[3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is CCCn1cnc2ccc(-c3noc([C@@H]4CC(=O)N(c5ccc(C)cc5)C4)n3)cc21.
What is the InChIKey of (4R)-1-(4-methylphenyl)-4-[3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The InChIKey is GLFIZYNJHBKRJM-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-3-10-27-14-24-19-9-6-16(11-20(19)27)22-25-23(30-26-22)17-12-21(29)28(13-17)18-7-4-15(2)5-8-18/h4-9,11,14,17H,3,10,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of (4R)-1-(4-methylphenyl)-4-[3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
(4R)-1-(4-methylphenyl)-4-[3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one has a molecular weight of 401.47 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-methylphenyl)-4-[3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 95102309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).