(3R,5S)-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

C10H11N5O2 — CID 104911446

IUPAC(3R,5S)-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESO[C@H]1CN[C@H](c2nc(-c3ccncn3)no2)C1
InChIInChI=1S/C10H11N5O2/c16-6-3-8(12-4-6)10-14-9(15-17-10)7-1-2-11-5-13-7/h1-2,5-6,8,12,16H,3-4H2/t6-,8+/m1/s1
InChIKeyDVDJIKKRQVJWKX-SVRRBLITSA-N
MW233.23 g/mol
LogP-0.08
Rot. Bonds2

About (3R,5S)-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol

(3R,5S)-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (PubChem CID 104911446) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is (3R,5S)-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
PubChem CID104911446
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name(3R,5S)-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
SMILESO[C@H]1CN[C@H](c2nc(-c3ccncn3)no2)C1
InChIInChI=1S/C10H11N5O2/c16-6-3-8(12-4-6)10-14-9(15-17-10)7-1-2-11-5-13-7/h1-2,5-6,8,12,16H,3-4H2/t6-,8+/m1/s1
InChIKeyDVDJIKKRQVJWKX-SVRRBLITSA-N
XLogP-0.08
TPSA96.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CID 104911446) is (3R,5S)-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is O[C@H]1CN[C@H](c2nc(-c3ccncn3)no2)C1.
What is the InChIKey of (3R,5S)-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
The InChIKey is DVDJIKKRQVJWKX-SVRRBLITSA-N. The full InChI is InChI=1S/C10H11N5O2/c16-6-3-8(12-4-6)10-14-9(15-17-10)7-1-2-11-5-13-7/h1-2,5-6,8,12,16H,3-4H2/t6-,8+/m1/s1.
What are the key properties of (3R,5S)-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol?
(3R,5S)-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol has a molecular weight of 233.23 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 104911446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).