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

C13H16N4O2 — CID 104912496

IUPAC(3S,5S)-5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCCc1cnccc1-c1noc([C@@H]2C[C@H](O)CN2)n1
InChIInChI=1S/C13H16N4O2/c1-2-8-6-14-4-3-10(8)12-16-13(19-17-12)11-5-9(18)7-15-11/h3-4,6,9,11,15,18H,2,5,7H2,1H3/t9-,11-/m0/s1
InChIKeyKDLRMMSEEGAVQV-ONGXEEELSA-N
MW260.30 g/mol
LogP1.09
Rot. Bonds3

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

(3S,5S)-5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 104912496) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (3S,5S)-5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID104912496
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(3S,5S)-5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCCc1cnccc1-c1noc([C@@H]2C[C@H](O)CN2)n1
InChIInChI=1S/C13H16N4O2/c1-2-8-6-14-4-3-10(8)12-16-13(19-17-12)11-5-9(18)7-15-11/h3-4,6,9,11,15,18H,2,5,7H2,1H3/t9-,11-/m0/s1
InChIKeyKDLRMMSEEGAVQV-ONGXEEELSA-N
XLogP1.09
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S,5S)-5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol with MolForge

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Related Compounds

(3R,5R)-5-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912505
(3R,5S)-5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911446
(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
5-(3-ethyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 86276587
(3R,5S)-5-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911453
(5S)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104911082
(3R,5R)-5-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 103083335
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
4-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]thiolan-3-one
CID 83201124
(3R,5S)-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 51136219

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3S,5S)-5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 104912496) is (3S,5S)-5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is CCc1cnccc1-c1noc([C@@H]2C[C@H](O)CN2)n1.
What is the InChIKey of (3S,5S)-5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is KDLRMMSEEGAVQV-ONGXEEELSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-8-6-14-4-3-10(8)12-16-13(19-17-12)11-5-9(18)7-15-11/h3-4,6,9,11,15,18H,2,5,7H2,1H3/t9-,11-/m0/s1.
What are the key properties of (3S,5S)-5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
(3S,5S)-5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 260.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 104912496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).