1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one

C24H27N3O5 — CID 154859789

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccc(CCN2CC(c3nnc(COCc4ccccc4)o3)CC2=O)cc1OC
InChIInChI=1S/C24H27N3O5/c1-29-20-9-8-17(12-21(20)30-2)10-11-27-14-19(13-23(27)28)24-26-25-22(32-24)16-31-15-18-6-4-3-5-7-18/h3-9,12,19H,10-11,13-16H2,1-2H3
InChIKeyFUZJAQVFONEZKP-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.36
Rot. Bonds10

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one

1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one (PubChem CID 154859789) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one
PubChem CID154859789
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccc(CCN2CC(c3nnc(COCc4ccccc4)o3)CC2=O)cc1OC
InChIInChI=1S/C24H27N3O5/c1-29-20-9-8-17(12-21(20)30-2)10-11-27-14-19(13-23(27)28)24-26-25-22(32-24)16-31-15-18-6-4-3-5-7-18/h3-9,12,19H,10-11,13-16H2,1-2H3
InChIKeyFUZJAQVFONEZKP-UHFFFAOYSA-N
XLogP3.36
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 39903048
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(3-phenylmethoxypropyl)pyrrolidine-3-carboxamide
CID 43021963
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51405841
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 4963915
4-(aminomethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-2-one;hydrochloride
CID 52988220
1-[2-[4-methoxy-3-(3-phenylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 20990714
2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-oxopiperidin-4-yl]propanedioic acid
CID 141018843
N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]cyclopropanecarboxamide
CID 110420777
N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]ethanesulfonamide
CID 110420810
4-(4-benzoylpiperazine-1-carbonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-2-one
CID 47004546
N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110420802
1-[2-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22686462

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one (CID 154859789) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one is COc1ccc(CCN2CC(c3nnc(COCc4ccccc4)o3)CC2=O)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one?
The InChIKey is FUZJAQVFONEZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-29-20-9-8-17(12-21(20)30-2)10-11-27-14-19(13-23(27)28)24-26-25-22(32-24)16-31-15-18-6-4-3-5-7-18/h3-9,12,19H,10-11,13-16H2,1-2H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one?
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one has a molecular weight of 437.50 g/mol, XLogP of 3.36, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[5-(phenylmethoxymethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 154859789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).