(3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol

C19H17FN4O4 — CID 26744415

IUPAC(3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol
SMILESO=[N+]([O-])c1ccccc1CN1C[C@H](O)C[C@H]1c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C19H17FN4O4/c20-14-7-5-12(6-8-14)18-21-19(28-22-18)17-9-15(25)11-23(17)10-13-3-1-2-4-16(13)24(26)27/h1-8,15,17,25H,9-11H2/t15-,17+/m1/s1
InChIKeyYRWHTCSTIPMBSZ-WBVHZDCISA-N
MW384.37 g/mol
LogP3.09
Rot. Bonds5

About (3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol

(3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol (PubChem CID 26744415) has the molecular formula C19H17FN4O4 and a molecular weight of 384.37 g/mol. Its IUPAC name is (3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol
PubChem CID26744415
Molecular FormulaC19H17FN4O4
Molecular Weight384.37 g/mol
Exact Mass384.12
IUPAC Name(3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol
SMILESO=[N+]([O-])c1ccccc1CN1C[C@H](O)C[C@H]1c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C19H17FN4O4/c20-14-7-5-12(6-8-14)18-21-19(28-22-18)17-9-15(25)11-23(17)10-13-3-1-2-4-16(13)24(26)27/h1-8,15,17,25H,9-11H2/t15-,17+/m1/s1
InChIKeyYRWHTCSTIPMBSZ-WBVHZDCISA-N
XLogP3.09
TPSA105.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(2-nitrophenyl)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

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol (CID 26744415) is (3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol is O=[N+]([O-])c1ccccc1CN1C[C@H](O)C[C@H]1c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of (3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol?
The InChIKey is YRWHTCSTIPMBSZ-WBVHZDCISA-N. The full InChI is InChI=1S/C19H17FN4O4/c20-14-7-5-12(6-8-14)18-21-19(28-22-18)17-9-15(25)11-23(17)10-13-3-1-2-4-16(13)24(26)27/h1-8,15,17,25H,9-11H2/t15-,17+/m1/s1.
What are the key properties of (3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol?
(3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol has a molecular weight of 384.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 26744415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).