2-(2-methylphenoxy)-1-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone

C22H23N3O3 — CID 71686905

IUPAC2-(2-methylphenoxy)-1-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCc1ccccc1OCC(=O)N1C[C@H](c2nc(-c3ccccc3)no2)[C@@H](C)C1
InChIInChI=1S/C22H23N3O3/c1-15-8-6-7-11-19(15)27-14-20(26)25-12-16(2)18(13-25)22-23-21(24-28-22)17-9-4-3-5-10-17/h3-11,16,18H,12-14H2,1-2H3/t16-,18-/m0/s1
InChIKeyIAHHKOSYMGQNTD-WMZOPIPTSA-N
MW377.44 g/mol
LogP3.69
Rot. Bonds5

About 2-(2-methylphenoxy)-1-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone

2-(2-methylphenoxy)-1-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 71686905) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-1-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylphenoxy)-1-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID71686905
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-(2-methylphenoxy)-1-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCc1ccccc1OCC(=O)N1C[C@H](c2nc(-c3ccccc3)no2)[C@@H](C)C1
InChIInChI=1S/C22H23N3O3/c1-15-8-6-7-11-19(15)27-14-20(26)25-12-16(2)18(13-25)22-23-21(24-28-22)17-9-4-3-5-10-17/h3-11,16,18H,12-14H2,1-2H3/t16-,18-/m0/s1
InChIKeyIAHHKOSYMGQNTD-WMZOPIPTSA-N
XLogP3.69
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-dimethoxyphenyl)-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 87051988
1-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 71686901
1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 156601559
[3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 78149390
(2,4-difluorophenyl)-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 87051982
(4-chloro-2-methoxyphenyl)-[3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 78149388
2-(2-methylimidazol-1-yl)-1-[3-methyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 156601877
1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(2-methylphenoxy)ethanone
CID 53206170
2-(2-methylphenoxy)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 39835008
2-(2-methylphenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone
CID 110740563
1-[(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(2-methylphenoxy)ethanone
CID 95057627
2-(6-methyl-3-pyridinyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 138024658

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-1-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-methylphenoxy)-1-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone (CID 71686905) is 2-(2-methylphenoxy)-1-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylphenoxy)-1-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylphenoxy)-1-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone is Cc1ccccc1OCC(=O)N1C[C@H](c2nc(-c3ccccc3)no2)[C@@H](C)C1.
What is the InChIKey of 2-(2-methylphenoxy)-1-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is IAHHKOSYMGQNTD-WMZOPIPTSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-8-6-7-11-19(15)27-14-20(26)25-12-16(2)18(13-25)22-23-21(24-28-22)17-9-4-3-5-10-17/h3-11,16,18H,12-14H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of 2-(2-methylphenoxy)-1-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
2-(2-methylphenoxy)-1-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 377.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-1-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 71686905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).