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

C11H13N5O2 — CID 104911453

IUPAC(3R,5S)-5-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCc1cnc(-c2noc([C@@H]3C[C@@H](O)CN3)n2)nc1
InChIInChI=1S/C11H13N5O2/c1-6-3-13-9(14-4-6)10-15-11(18-16-10)8-2-7(17)5-12-8/h3-4,7-8,12,17H,2,5H2,1H3/t7-,8+/m1/s1
InChIKeyHJUWXJSBHJHBQF-SFYZADRCSA-N
MW247.26 g/mol
LogP0.23
Rot. Bonds2

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

(3R,5S)-5-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 104911453) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is (3R,5S)-5-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID104911453
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name(3R,5S)-5-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCc1cnc(-c2noc([C@@H]3C[C@@H](O)CN3)n2)nc1
InChIInChI=1S/C11H13N5O2/c1-6-3-13-9(14-4-6)10-15-11(18-16-10)8-2-7(17)5-12-8/h3-4,7-8,12,17H,2,5H2,1H3/t7-,8+/m1/s1
InChIKeyHJUWXJSBHJHBQF-SFYZADRCSA-N
XLogP0.23
TPSA96.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3R,5R)-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912131
5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 75614428
(3S,5S)-5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912471
5-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107915122
(3R,5R)-5-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 107915084
(5S)-5-[3-(4-hydroxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 136854657
(5S)-5-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911435
(3R,5R)-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912148
(3S,5S)-5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912294
5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114350998
(5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911082
(3R,5R)-5-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912525

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 104911453) is (3R,5S)-5-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is Cc1cnc(-c2noc([C@@H]3C[C@@H](O)CN3)n2)nc1.
What is the InChIKey of (3R,5S)-5-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is HJUWXJSBHJHBQF-SFYZADRCSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-6-3-13-9(14-4-6)10-15-11(18-16-10)8-2-7(17)5-12-8/h3-4,7-8,12,17H,2,5H2,1H3/t7-,8+/m1/s1.
What are the key properties of (3R,5S)-5-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
(3R,5S)-5-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 247.26 g/mol, XLogP of 0.23, 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-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 104911453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).