(3R,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[[4-[hydroxy(oxido)amino]phenyl]methyl]pyrrolidin-3-ol

C20H21N4O4- — CID 163150519

IUPAC(3R,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[[4-[hydroxy(oxido)amino]phenyl]methyl]pyrrolidin-3-ol
SMILES[O-]N(O)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)cc1
InChIInChI=1S/C20H21N4O4/c25-17-11-18(20-21-19(22-28-20)10-14-4-2-1-3-5-14)23(13-17)12-15-6-8-16(9-7-15)24(26)27/h1-9,17-18,25-26H,10-13H2/q-1/t17-,18+/m1/s1
InChIKeyGSZLDILNXMJRDN-MSOLQXFVSA-N
MW381.41 g/mol
LogP2.66
Rot. Bonds6

About (3R,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[[4-[hydroxy(oxido)amino]phenyl]methyl]pyrrolidin-3-ol

(3R,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[[4-[hydroxy(oxido)amino]phenyl]methyl]pyrrolidin-3-ol (PubChem CID 163150519) has the molecular formula C20H21N4O4- and a molecular weight of 381.41 g/mol. Its IUPAC name is (3R,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[[4-[hydroxy(oxido)amino]phenyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[[4-[hydroxy(oxido)amino]phenyl]methyl]pyrrolidin-3-ol
PubChem CID163150519
Molecular FormulaC20H21N4O4-
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name(3R,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[[4-[hydroxy(oxido)amino]phenyl]methyl]pyrrolidin-3-ol
SMILES[O-]N(O)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)cc1
InChIInChI=1S/C20H21N4O4/c25-17-11-18(20-21-19(22-28-20)10-14-4-2-1-3-5-14)23(13-17)12-15-6-8-16(9-7-15)24(26)27/h1-9,17-18,25-26H,10-13H2/q-1/t17-,18+/m1/s1
InChIKeyGSZLDILNXMJRDN-MSOLQXFVSA-N
XLogP2.66
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3R,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[[4-[hydroxy(oxido)amino]phenyl]methyl]pyrrolidin-3-ol 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

5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol
CID 74506979
(3R,5S)-5-[3-[3-[hydroxy(oxido)amino]phenyl]-1,2,4-oxadiazol-5-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
CID 163123564
(3R,5S)-5-[3-[3-[hydroxy(oxido)amino]phenyl]-1,2,4-oxadiazol-5-yl]-1-[(2-hydroxyphenyl)methyl]pyrrolidin-3-ol
CID 163121104
1-benzyl-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 74507208
(3R,5S)-1-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 26743556
5-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 74507375
1-[4-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-hydroxypyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 74506963
1-[[4-(dimethylamino)phenyl]methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506629
1-[(4-methylsulfonylphenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506570
(3R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol
CID 26744252
(3R,5S)-5-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-ol
CID 26744624
5-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-ol
CID 74507424

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[[4-[hydroxy(oxido)amino]phenyl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[[4-[hydroxy(oxido)amino]phenyl]methyl]pyrrolidin-3-ol (CID 163150519) is (3R,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[[4-[hydroxy(oxido)amino]phenyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[[4-[hydroxy(oxido)amino]phenyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[[4-[hydroxy(oxido)amino]phenyl]methyl]pyrrolidin-3-ol is [O-]N(O)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)cc1.
What is the InChIKey of (3R,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[[4-[hydroxy(oxido)amino]phenyl]methyl]pyrrolidin-3-ol?
The InChIKey is GSZLDILNXMJRDN-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H21N4O4/c25-17-11-18(20-21-19(22-28-20)10-14-4-2-1-3-5-14)23(13-17)12-15-6-8-16(9-7-15)24(26)27/h1-9,17-18,25-26H,10-13H2/q-1/t17-,18+/m1/s1.
What are the key properties of (3R,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[[4-[hydroxy(oxido)amino]phenyl]methyl]pyrrolidin-3-ol?
(3R,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[[4-[hydroxy(oxido)amino]phenyl]methyl]pyrrolidin-3-ol has a molecular weight of 381.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[[4-[hydroxy(oxido)amino]phenyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 163150519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).