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

C25H25N5O2 — CID 95075916

IUPAC(4S)-4-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2C[C@@H](c3nc(-c4ccc5c(c4)ncn5C4CCCC4)no3)CC2=O)cc1
InChIInChI=1S/C25H25N5O2/c1-16-6-9-20(10-7-16)29-14-18(13-23(29)31)25-27-24(28-32-25)17-8-11-22-21(12-17)26-15-30(22)19-4-2-3-5-19/h6-12,15,18-19H,2-5,13-14H2,1H3/t18-/m0/s1
InChIKeyBEVDURGZKQUSEQ-SFHVURJKSA-N
MW427.51 g/mol
LogP5.03
Rot. Bonds4

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

(4S)-4-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one (PubChem CID 95075916) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is (4S)-4-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
PubChem CID95075916
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name(4S)-4-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2C[C@@H](c3nc(-c4ccc5c(c4)ncn5C4CCCC4)no3)CC2=O)cc1
InChIInChI=1S/C25H25N5O2/c1-16-6-9-20(10-7-16)29-14-18(13-23(29)31)25-27-24(28-32-25)17-8-11-22-21(12-17)26-15-30(22)19-4-2-3-5-19/h6-12,15,18-19H,2-5,13-14H2,1H3/t18-/m0/s1
InChIKeyBEVDURGZKQUSEQ-SFHVURJKSA-N
XLogP5.03
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.51
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-1-(3-chlorophenyl)-4-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 95075917
1,3-dimethyl-6-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 95067702
3-cyclopentyl-6-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
CID 53065864
(4R)-1-(4-methylphenyl)-4-[3-(3-propylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 95102309
(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
(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
(4R)-4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586046
6-[5-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1-cyclopentyl-3-methylquinoxalin-2-one
CID 95067745
4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42891589

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one (CID 95075916) is (4S)-4-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one is Cc1ccc(N2C[C@@H](c3nc(-c4ccc5c(c4)ncn5C4CCCC4)no3)CC2=O)cc1.
What is the InChIKey of (4S)-4-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
The InChIKey is BEVDURGZKQUSEQ-SFHVURJKSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-16-6-9-20(10-7-16)29-14-18(13-23(29)31)25-27-24(28-32-25)17-8-11-22-21(12-17)26-15-30(22)19-4-2-3-5-19/h6-12,15,18-19H,2-5,13-14H2,1H3/t18-/m0/s1.
What are the key properties of (4S)-4-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one?
(4S)-4-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one has a molecular weight of 427.51 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 95075916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).