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

C19H18FN3O2 — CID 26743556

IUPAC(3R,5S)-1-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESO[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H18FN3O2/c20-15-8-6-13(7-9-15)11-23-12-16(24)10-17(23)19-21-18(22-25-19)14-4-2-1-3-5-14/h1-9,16-17,24H,10-12H2/t16-,17+/m1/s1
InChIKeyBFBFBEIHDCOICG-SJORKVTESA-N
MW339.37 g/mol
LogP3.18
Rot. Bonds4

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

(3R,5S)-1-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 26743556) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is (3R,5S)-1-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-1-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
PubChem CID26743556
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name(3R,5S)-1-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESO[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H18FN3O2/c20-15-8-6-13(7-9-15)11-23-12-16(24)10-17(23)19-21-18(22-25-19)14-4-2-1-3-5-14/h1-9,16-17,24H,10-12H2/t16-,17+/m1/s1
InChIKeyBFBFBEIHDCOICG-SJORKVTESA-N
XLogP3.18
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 74507208
1-[(4-chlorophenyl)methyl]-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 74507212
1-[(4-fluorophenyl)methyl]-5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506631
(3R,5S)-1-[(4-fluorophenyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 26743718
1-[(4-methylsulfonylphenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 74506570
5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol
CID 74506979
1-benzyl-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 74506708
(3R,5S)-1-(cyclopropylmethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 26743592
(3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol
CID 26744415
(3R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol
CID 26744252
1-[(4-chlorophenyl)methyl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 74506580
(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-3-ol
CID 26744170

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-1-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CID 26743556) is (3R,5S)-1-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-1-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-1-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(Cc2ccc(F)cc2)C1.
What is the InChIKey of (3R,5S)-1-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is BFBFBEIHDCOICG-SJORKVTESA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-15-8-6-13(7-9-15)11-23-12-16(24)10-17(23)19-21-18(22-25-19)14-4-2-1-3-5-14/h1-9,16-17,24H,10-12H2/t16-,17+/m1/s1.
What are the key properties of (3R,5S)-1-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
(3R,5S)-1-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 339.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 26743556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).