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

C10H13N5O2 — CID 104912471

IUPAC(3S,5S)-5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCn1ccnc1-c1noc([C@@H]2C[C@H](O)CN2)n1
InChIInChI=1S/C10H13N5O2/c1-15-3-2-11-9(15)8-13-10(17-14-8)7-4-6(16)5-12-7/h2-3,6-7,12,16H,4-5H2,1H3/t6-,7-/m0/s1
InChIKeyUATJUBJKNOYZBQ-BQBZGAKWSA-N
MW235.25 g/mol
LogP-0.13
Rot. Bonds2

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

(3S,5S)-5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 104912471) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is (3S,5S)-5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID104912471
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name(3S,5S)-5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCn1ccnc1-c1noc([C@@H]2C[C@H](O)CN2)n1
InChIInChI=1S/C10H13N5O2/c1-15-3-2-11-9(15)8-13-10(17-14-8)7-4-6(16)5-12-7/h2-3,6-7,12,16H,4-5H2,1H3/t6-,7-/m0/s1
InChIKeyUATJUBJKNOYZBQ-BQBZGAKWSA-N
XLogP-0.13
TPSA89.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3R,5S)-5-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911453
(3S,5R)-5-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812820
(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
(5S)-5-[3-(4-hydroxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 136854657
(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
(3R,5S)-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911446
(3S,5S)-5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912199
(5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911082
(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

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3S,5S)-5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 104912471) is (3S,5S)-5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is Cn1ccnc1-c1noc([C@@H]2C[C@H](O)CN2)n1.
What is the InChIKey of (3S,5S)-5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is UATJUBJKNOYZBQ-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-15-3-2-11-9(15)8-13-10(17-14-8)7-4-6(16)5-12-7/h2-3,6-7,12,16H,4-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of (3S,5S)-5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
(3S,5S)-5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 235.25 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-[3-(1-methylimidazol-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 104912471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).