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

C20H25N3O2 — CID 154759332

IUPAC4-[3-(cyclopentylmethyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2CC(c3nc(CC4CCCC4)no3)CC2=O)cc1
InChIInChI=1S/C20H25N3O2/c1-14-6-8-16(9-7-14)12-23-13-17(11-19(23)24)20-21-18(22-25-20)10-15-4-2-3-5-15/h6-9,15,17H,2-5,10-13H2,1H3
InChIKeyVMUPDKADSCPYMA-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.63
Rot. Bonds5

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

4-[3-(cyclopentylmethyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 154759332) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[3-(cyclopentylmethyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(cyclopentylmethyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID154759332
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-[3-(cyclopentylmethyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2CC(c3nc(CC4CCCC4)no3)CC2=O)cc1
InChIInChI=1S/C20H25N3O2/c1-14-6-8-16(9-7-14)12-23-13-17(11-19(23)24)20-21-18(22-25-20)10-15-4-2-3-5-15/h6-9,15,17H,2-5,10-13H2,1H3
InChIKeyVMUPDKADSCPYMA-UHFFFAOYSA-N
XLogP3.63
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(cyclopentylmethyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 154759331
(5R)-1-[(4-chlorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97133541
(4S)-1-[2-(dimethylamino)ethyl]-4-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 97455017
(5S)-1-[(3-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97110556
(4R)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 52735985
1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one
CID 155799488
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-benzylpyrrolidin-2-one
CID 120850151
(4R)-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97434734
(4S)-1-(furan-2-ylmethyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 51896258
(4S)-4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 93492650
(5R)-1-[(2-fluorophenyl)methyl]-5-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-2-one
CID 97118378
(4R)-1-benzyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 51894139

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopentylmethyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-[3-(cyclopentylmethyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (CID 154759332) is 4-[3-(cyclopentylmethyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(cyclopentylmethyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-[3-(cyclopentylmethyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is Cc1ccc(CN2CC(c3nc(CC4CCCC4)no3)CC2=O)cc1.
What is the InChIKey of 4-[3-(cyclopentylmethyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is VMUPDKADSCPYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-6-8-16(9-7-14)12-23-13-17(11-19(23)24)20-21-18(22-25-20)10-15-4-2-3-5-15/h6-9,15,17H,2-5,10-13H2,1H3.
What are the key properties of 4-[3-(cyclopentylmethyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
4-[3-(cyclopentylmethyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 339.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopentylmethyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 154759332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).