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

C16H17F2N3O2 — CID 129380433

IUPAC(3R,5R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol
SMILESO[C@@H]1C[C@H](c2cc(F)ccc2F)N(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C16H17F2N3O2/c17-10-3-4-13(18)12(5-10)14-6-11(22)7-21(14)8-15-19-16(23-20-15)9-1-2-9/h3-5,9,11,14,22H,1-2,6-8H2/t11-,14-/m1/s1
InChIKeyCCTSODGRZFZZJK-BXUZGUMPSA-N
MW321.33 g/mol
LogP2.53
Rot. Bonds4

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

(3R,5R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol (PubChem CID 129380433) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is (3R,5R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol
PubChem CID129380433
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name(3R,5R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol
SMILESO[C@@H]1C[C@H](c2cc(F)ccc2F)N(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C16H17F2N3O2/c17-10-3-4-13(18)12(5-10)14-6-11(22)7-21(14)8-15-19-16(23-20-15)9-1-2-9/h3-5,9,11,14,22H,1-2,6-8H2/t11-,14-/m1/s1
InChIKeyCCTSODGRZFZZJK-BXUZGUMPSA-N
XLogP2.53
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,5S)-5-(2,5-difluorophenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol
CID 100657073
(3S,5R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129393595
(3S,5R)-5-(2,5-difluorophenyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 129397668
5-[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-[(4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 74507375
(3S,5S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481131
(3S,5R)-5-(2,5-difluorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 129372719
5-(2,5-difluorophenyl)-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidin-3-ol
CID 167918948
(3R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol
CID 26744252
(3S,5R)-1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol
CID 129380384
(3S,4R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 115278431
4-[[(2S,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methyl]benzonitrile
CID 129471230
5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol
CID 74506979

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol (CID 129380433) is (3R,5R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol is O[C@@H]1C[C@H](c2cc(F)ccc2F)N(Cc2noc(C3CC3)n2)C1.
What is the InChIKey of (3R,5R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol?
The InChIKey is CCTSODGRZFZZJK-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c17-10-3-4-13(18)12(5-10)14-6-11(22)7-21(14)8-15-19-16(23-20-15)9-1-2-9/h3-5,9,11,14,22H,1-2,6-8H2/t11-,14-/m1/s1.
What are the key properties of (3R,5R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol?
(3R,5R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol has a molecular weight of 321.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(2,5-difluorophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 129380433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).