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

C22H23N3O3 — CID 110876328

IUPAC1-[(2-methoxyphenyl)methyl]-4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESCOc1ccccc1CN1CC(c2noc(CCc3ccccc3)n2)CC1=O
InChIInChI=1S/C22H23N3O3/c1-27-19-10-6-5-9-17(19)14-25-15-18(13-21(25)26)22-23-20(28-24-22)12-11-16-7-3-2-4-8-16/h2-10,18H,11-15H2,1H3
InChIKeyFYAHAGDVDRRILR-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.38
Rot. Bonds7

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

1-[(2-methoxyphenyl)methyl]-4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (PubChem CID 110876328) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
PubChem CID110876328
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-[(2-methoxyphenyl)methyl]-4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
SMILESCOc1ccccc1CN1CC(c2noc(CCc3ccccc3)n2)CC1=O
InChIInChI=1S/C22H23N3O3/c1-27-19-10-6-5-9-17(19)14-25-15-18(13-21(25)26)22-23-20(28-24-22)12-11-16-7-3-2-4-8-16/h2-10,18H,11-15H2,1H3
InChIKeyFYAHAGDVDRRILR-UHFFFAOYSA-N
XLogP3.38
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[3-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 98042290
5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[(2-methoxyphenyl)methyl]piperidin-2-one
CID 72870039
(5R)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-[(2-methoxyphenyl)methyl]piperidin-2-one
CID 97123469
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714138
(4S)-1-[(2-methoxyphenyl)methyl]-4-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
CID 30882284
(4R)-4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 31192333
1-[(2-methoxyphenyl)methyl]-4-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
CID 45222470
(4R)-1-(3-chloro-4-fluorophenyl)-4-[5-(3-phenylpropyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 99744796
(4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 95719078
(4R)-4-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]-1-phenylpyrrolidin-2-one
CID 100691836
3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 115071395

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one (CID 110876328) is 1-[(2-methoxyphenyl)methyl]-4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is COc1ccccc1CN1CC(c2noc(CCc3ccccc3)n2)CC1=O.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
The InChIKey is FYAHAGDVDRRILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-19-10-6-5-9-17(19)14-25-15-18(13-21(25)26)22-23-20(28-24-22)12-11-16-7-3-2-4-8-16/h2-10,18H,11-15H2,1H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one?
1-[(2-methoxyphenyl)methyl]-4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one has a molecular weight of 377.44 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-4-[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 110876328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).