2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol

C21H23N3O3 — CID 95719382

IUPAC2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol
SMILESOCCOc1cccc(CN2CCC[C@H]2c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C21H23N3O3/c25-12-13-26-18-9-4-6-16(14-18)15-24-11-5-10-19(24)21-22-20(23-27-21)17-7-2-1-3-8-17/h1-4,6-9,14,19,25H,5,10-13,15H2/t19-/m0/s1
InChIKeyNPKYXGUTCDMSFF-IBGZPJMESA-N
MW365.43 g/mol
LogP3.44
Rot. Bonds7

About 2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol

2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol (PubChem CID 95719382) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol
PubChem CID95719382
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol
SMILESOCCOc1cccc(CN2CCC[C@H]2c2nc(-c3ccccc3)no2)c1
InChIInChI=1S/C21H23N3O3/c25-12-13-26-18-9-4-6-16(14-18)15-24-11-5-10-19(24)21-22-20(23-27-21)17-7-2-1-3-8-17/h1-4,6-9,14,19,25H,5,10-13,15H2/t19-/m0/s1
InChIKeyNPKYXGUTCDMSFF-IBGZPJMESA-N
XLogP3.44
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892545
5-[(2R)-1-benzylpyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95147378
5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191859
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 97071015
2-[3-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol
CID 125002714
5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 95712932
5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-ol
CID 111110263
5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 95722957
5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131269
2-[3-[[(2R)-2-(4,5-diphenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 10139047
6-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
CID 126834888
1-[4-[4-[5-[1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 75614834

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol (CID 95719382) is 2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol is OCCOc1cccc(CN2CCC[C@H]2c2nc(-c3ccccc3)no2)c1.
What is the InChIKey of 2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol?
The InChIKey is NPKYXGUTCDMSFF-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23N3O3/c25-12-13-26-18-9-4-6-16(14-18)15-24-11-5-10-19(24)21-22-20(23-27-21)17-7-2-1-3-8-17/h1-4,6-9,14,19,25H,5,10-13,15H2/t19-/m0/s1.
What are the key properties of 2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol?
2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol has a molecular weight of 365.43 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 95719382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).