(3R,5R)-5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

C12H11Cl2N3O2 — CID 107917770

IUPAC(3R,5R)-5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESO[C@H]1CN[C@@H](c2nc(-c3cc(Cl)cc(Cl)c3)no2)C1
InChIInChI=1S/C12H11Cl2N3O2/c13-7-1-6(2-8(14)3-7)11-16-12(19-17-11)10-4-9(18)5-15-10/h1-3,9-10,15,18H,4-5H2/t9-,10-/m1/s1
InChIKeyJNPIGMMWPWGBIL-NXEZZACHSA-N
MW300.15 g/mol
LogP2.44
Rot. Bonds2

About (3R,5R)-5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

(3R,5R)-5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 107917770) has the molecular formula C12H11Cl2N3O2 and a molecular weight of 300.15 g/mol. Its IUPAC name is (3R,5R)-5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID107917770
Molecular FormulaC12H11Cl2N3O2
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name(3R,5R)-5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESO[C@H]1CN[C@@H](c2nc(-c3cc(Cl)cc(Cl)c3)no2)C1
InChIInChI=1S/C12H11Cl2N3O2/c13-7-1-6(2-8(14)3-7)11-16-12(19-17-11)10-4-9(18)5-15-10/h1-3,9-10,15,18H,4-5H2/t9-,10-/m1/s1
InChIKeyJNPIGMMWPWGBIL-NXEZZACHSA-N
XLogP2.44
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,5R)-5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol with MolForge

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Related Compounds

(5S)-5-[3-(4-hydroxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 136854657
(5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911082
5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 115753243
(5S)-5-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911435
(3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 51136219
(3R,5R)-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912131
5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 75614428
4-[5-[(2R,4R)-4-hydroxypyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888793
(3R,5S)-5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911113
(3S,5S)-5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912199
(3R,5R)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912148
(3R,5R)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912169

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 107917770) is (3R,5R)-5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is O[C@H]1CN[C@@H](c2nc(-c3cc(Cl)cc(Cl)c3)no2)C1.
What is the InChIKey of (3R,5R)-5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is JNPIGMMWPWGBIL-NXEZZACHSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2/c13-7-1-6(2-8(14)3-7)11-16-12(19-17-11)10-4-9(18)5-15-10/h1-3,9-10,15,18H,4-5H2/t9-,10-/m1/s1.
What are the key properties of (3R,5R)-5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
(3R,5R)-5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 300.15 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 107917770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).