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

C16H18FN3O2 — CID 26744252

IUPAC(3R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol
SMILESO[C@@H]1C[C@@H](c2nc(C3CC3)no2)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H18FN3O2/c17-12-5-1-10(2-6-12)8-20-9-13(21)7-14(20)16-18-15(19-22-16)11-3-4-11/h1-2,5-6,11,13-14,21H,3-4,7-9H2/t13-,14+/m1/s1
InChIKeyNOCOAFITCZSDCK-KGLIPLIRSA-N
MW303.34 g/mol
LogP2.39
Rot. Bonds4

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

(3R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol (PubChem CID 26744252) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is (3R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol
PubChem CID26744252
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name(3R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol
SMILESO[C@@H]1C[C@@H](c2nc(C3CC3)no2)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H18FN3O2/c17-12-5-1-10(2-6-12)8-20-9-13(21)7-14(20)16-18-15(19-22-16)11-3-4-11/h1-2,5-6,11,13-14,21H,3-4,7-9H2/t13-,14+/m1/s1
InChIKeyNOCOAFITCZSDCK-KGLIPLIRSA-N
XLogP2.39
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,5S)-1-[(4-fluorophenyl)methyl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 26743556
1-[(4-chlorophenyl)methyl]-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 74507212
5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol
CID 74506979
1-benzyl-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 74507208
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
(3S,5S)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 100711532
5-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 74507375
(3R,5R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol
CID 129380433
(3S,5R)-5-(4-fluorophenyl)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-3-ol
CID 129351038
1-[(4-chlorophenyl)methyl]-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 74506710
(3R,5S)-5-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-ol
CID 26744624

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol (CID 26744252) is (3R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol is O[C@@H]1C[C@@H](c2nc(C3CC3)no2)N(Cc2ccc(F)cc2)C1.
What is the InChIKey of (3R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol?
The InChIKey is NOCOAFITCZSDCK-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H18FN3O2/c17-12-5-1-10(2-6-12)8-20-9-13(21)7-14(20)16-18-15(19-22-16)11-3-4-11/h1-2,5-6,11,13-14,21H,3-4,7-9H2/t13-,14+/m1/s1.
What are the key properties of (3R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol?
(3R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol has a molecular weight of 303.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 26744252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).