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

C15H17N3O2 — CID 104912280

IUPAC(3R,5R)-5-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESO[C@H]1CN[C@@H](c2nc(C3(c4ccccc4)CC3)no2)C1
InChIInChI=1S/C15H17N3O2/c19-11-8-12(16-9-11)13-17-14(18-20-13)15(6-7-15)10-4-2-1-3-5-10/h1-5,11-12,16,19H,6-9H2/t11-,12-/m1/s1
InChIKeyDKLXXLGBIQWGHF-VXGBXAGGSA-N
MW271.32 g/mol
LogP1.54
Rot. Bonds3

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

(3R,5R)-5-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 104912280) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (3R,5R)-5-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID104912280
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(3R,5R)-5-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESO[C@H]1CN[C@@H](c2nc(C3(c4ccccc4)CC3)no2)C1
InChIInChI=1S/C15H17N3O2/c19-11-8-12(16-9-11)13-17-14(18-20-13)15(6-7-15)10-4-2-1-3-5-10/h1-5,11-12,16,19H,6-9H2/t11-,12-/m1/s1
InChIKeyDKLXXLGBIQWGHF-VXGBXAGGSA-N
XLogP1.54
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114350993
5-(4-methoxypyrrolidin-2-yl)-3-(1-phenylcyclopropyl)-1,2,4-oxadiazole
CID 63080887
(5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911082
(5S)-5-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911223
(3S,5S)-5-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912536
(3S,5S)-5-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912581
(5S)-5-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911302
(3S,5S)-5-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912338
(3S,5R)-5-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812934
(3S,5R)-5-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812750
(3S,5S)-5-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104912291
(3R,5S)-5-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911494

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,5R)-5-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 104912280) is (3R,5R)-5-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5R)-5-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5R)-5-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is O[C@H]1CN[C@@H](c2nc(C3(c4ccccc4)CC3)no2)C1.
What is the InChIKey of (3R,5R)-5-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is DKLXXLGBIQWGHF-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-11-8-12(16-9-11)13-17-14(18-20-13)15(6-7-15)10-4-2-1-3-5-10/h1-5,11-12,16,19H,6-9H2/t11-,12-/m1/s1.
What are the key properties of (3R,5R)-5-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
(3R,5R)-5-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 271.32 g/mol, XLogP of 1.54, 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-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 104912280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).