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

C10H13F4N3O3 — CID 103472972

IUPAC(3R,5R)-5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESO[C@H]1CN[C@@H](c2nc(COCC(F)(F)C(F)F)no2)C1
InChIInChI=1S/C10H13F4N3O3/c11-9(12)10(13,14)4-19-3-7-16-8(20-17-7)6-1-5(18)2-15-6/h5-6,9,15,18H,1-4H2/t5-,6-/m1/s1
InChIKeyPNGRJRUNUGPCPK-PHDIDXHHSA-N
MW299.22 g/mol
LogP0.88
Rot. Bonds6

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

(3R,5R)-5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 103472972) has the molecular formula C10H13F4N3O3 and a molecular weight of 299.22 g/mol. Its IUPAC name is (3R,5R)-5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID103472972
Molecular FormulaC10H13F4N3O3
Molecular Weight299.22 g/mol
Exact Mass299.09
IUPAC Name(3R,5R)-5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESO[C@H]1CN[C@@H](c2nc(COCC(F)(F)C(F)F)no2)C1
InChIInChI=1S/C10H13F4N3O3/c11-9(12)10(13,14)4-19-3-7-16-8(20-17-7)6-1-5(18)2-15-6/h5-6,9,15,18H,1-4H2/t5-,6-/m1/s1
InChIKeyPNGRJRUNUGPCPK-PHDIDXHHSA-N
XLogP0.88
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2R,4S)-4-methoxypyrrolidin-2-yl]-3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazole
CID 103473020
(3R,5R)-5-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 103146226
5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114351002
5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 86276587
(3R,5R)-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912140
(5S)-5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106814669
(3R,5S)-5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911494
(3S,5R)-5-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104971482
(3R,5S)-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911217
(5S)-5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911379
(5S)-5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911066
5-(4-ethylpiperidin-2-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472669

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 103472972) is (3R,5R)-5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is O[C@H]1CN[C@@H](c2nc(COCC(F)(F)C(F)F)no2)C1.
What is the InChIKey of (3R,5R)-5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is PNGRJRUNUGPCPK-PHDIDXHHSA-N. The full InChI is InChI=1S/C10H13F4N3O3/c11-9(12)10(13,14)4-19-3-7-16-8(20-17-7)6-1-5(18)2-15-6/h5-6,9,15,18H,1-4H2/t5-,6-/m1/s1.
What are the key properties of (3R,5R)-5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
(3R,5R)-5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 299.22 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 103472972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).