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

C15H18FN3O2 — CID 104912316

IUPAC(3R,5R)-5-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCC(C)(c1ccc(F)cc1)c1noc([C@H]2C[C@@H](O)CN2)n1
InChIInChI=1S/C15H18FN3O2/c1-15(2,9-3-5-10(16)6-4-9)14-18-13(21-19-14)12-7-11(20)8-17-12/h3-6,11-12,17,20H,7-8H2,1-2H3/t11-,12-/m1/s1
InChIKeyXJWFHROCMQOUJR-VXGBXAGGSA-N
MW291.33 g/mol
LogP1.93
Rot. Bonds3

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

(3R,5R)-5-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 104912316) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is (3R,5R)-5-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID104912316
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name(3R,5R)-5-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCC(C)(c1ccc(F)cc1)c1noc([C@H]2C[C@@H](O)CN2)n1
InChIInChI=1S/C15H18FN3O2/c1-15(2,9-3-5-10(16)6-4-9)14-18-13(21-19-14)12-7-11(20)8-17-12/h3-6,11-12,17,20H,7-8H2,1-2H3/t11-,12-/m1/s1
InChIKeyXJWFHROCMQOUJR-VXGBXAGGSA-N
XLogP1.93
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 104912316) is (3R,5R)-5-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is CC(C)(c1ccc(F)cc1)c1noc([C@H]2C[C@@H](O)CN2)n1.
What is the InChIKey of (3R,5R)-5-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is XJWFHROCMQOUJR-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-15(2,9-3-5-10(16)6-4-9)14-18-13(21-19-14)12-7-11(20)8-17-12/h3-6,11-12,17,20H,7-8H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (3R,5R)-5-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
(3R,5R)-5-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 291.33 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 104912316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).