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

C17H16FN3O3 — CID 129448982

IUPAC(3S,5R)-5-(3-fluorophenyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
SMILESO[C@H]1C[C@H](c2cccc(F)c2)N(Cc2nnc(-c3ccco3)o2)C1
InChIInChI=1S/C17H16FN3O3/c18-12-4-1-3-11(7-12)14-8-13(22)9-21(14)10-16-19-20-17(24-16)15-5-2-6-23-15/h1-7,13-14,22H,8-10H2/t13-,14+/m0/s1
InChIKeyWNZLQHSSDHIUPF-UONOGXRCSA-N
MW329.33 g/mol
LogP2.78
Rot. Bonds4

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

(3S,5R)-5-(3-fluorophenyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol (PubChem CID 129448982) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is (3S,5R)-5-(3-fluorophenyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-(3-fluorophenyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
PubChem CID129448982
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name(3S,5R)-5-(3-fluorophenyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
SMILESO[C@H]1C[C@H](c2cccc(F)c2)N(Cc2nnc(-c3ccco3)o2)C1
InChIInChI=1S/C17H16FN3O3/c18-12-4-1-3-11(7-12)14-8-13(22)9-21(14)10-16-19-20-17(24-16)15-5-2-6-23-15/h1-7,13-14,22H,8-10H2/t13-,14+/m0/s1
InChIKeyWNZLQHSSDHIUPF-UONOGXRCSA-N
XLogP2.78
TPSA75.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,5R)-5-(2,5-difluorophenyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 129397654
(3S,5S)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 100711532
(3S,5R)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 129480762
(3S,5S)-5-(3-fluorophenyl)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-ol
CID 129480760
(3S,5S)-5-(3-fluorophenyl)-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-ol
CID 129480618
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 100736947
(3R,5R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481272
(3R,5R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129393605
(3S,5S)-5-(3-fluorophenyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-ol
CID 129480693
4-[[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzonitrile
CID 129480577
(3R,5S)-1-[(4-aminopyrimidin-2-yl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 129480505
1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol;hydrochloride
CID 120905747

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-(3-fluorophenyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,5R)-5-(3-fluorophenyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol (CID 129448982) is (3S,5R)-5-(3-fluorophenyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,5R)-5-(3-fluorophenyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,5R)-5-(3-fluorophenyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol is O[C@H]1C[C@H](c2cccc(F)c2)N(Cc2nnc(-c3ccco3)o2)C1.
What is the InChIKey of (3S,5R)-5-(3-fluorophenyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol?
The InChIKey is WNZLQHSSDHIUPF-UONOGXRCSA-N. The full InChI is InChI=1S/C17H16FN3O3/c18-12-4-1-3-11(7-12)14-8-13(22)9-21(14)10-16-19-20-17(24-16)15-5-2-6-23-15/h1-7,13-14,22H,8-10H2/t13-,14+/m0/s1.
What are the key properties of (3S,5R)-5-(3-fluorophenyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol?
(3S,5R)-5-(3-fluorophenyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol has a molecular weight of 329.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-(3-fluorophenyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 129448982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).