5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole

C12H14N4O — CID 114085802

IUPAC5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESC[C@@H]1CNC[C@H]1c1nc(-c2cccnc2)no1
InChIInChI=1S/C12H14N4O/c1-8-5-14-7-10(8)12-15-11(16-17-12)9-3-2-4-13-6-9/h2-4,6,8,10,14H,5,7H2,1H3/t8-,10-/m1/s1
InChIKeyPQYJXIPKMLAOMN-PSASIEDQSA-N
MW230.27 g/mol
LogP1.45
Rot. Bonds2

About 5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 114085802) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID114085802
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESC[C@@H]1CNC[C@H]1c1nc(-c2cccnc2)no1
InChIInChI=1S/C12H14N4O/c1-8-5-14-7-10(8)12-15-11(16-17-12)9-3-2-4-13-6-9/h2-4,6,8,10,14H,5,7H2,1H3/t8-,10-/m1/s1
InChIKeyPQYJXIPKMLAOMN-PSASIEDQSA-N
XLogP1.45
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1R,2S)-2-methylcyclopropyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 100676956
5-(4-methylpyrrolidin-3-yl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 55228804
4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 135983656
3-pyridin-3-yl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917646
trans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 96803162
(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine;hydrochloride
CID 120836949
3-(4-ethylsulfanylphenyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106847582
3-(4-fluoro-3-methylphenyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63719853
3-(5-chloro-2-pyridinyl)-5-[(3S,4S)-4-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 114085818
5-[(3R,4R)-4-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 87051934
1H-indazol-3-yl-[3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 156601911
3-(2,3-dihydro-1H-inden-2-yl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 65413097

Frequently Asked Questions

What is the IUPAC name of 5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 114085802) is 5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole is C[C@@H]1CNC[C@H]1c1nc(-c2cccnc2)no1.
What is the InChIKey of 5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is PQYJXIPKMLAOMN-PSASIEDQSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-5-14-7-10(8)12-15-11(16-17-12)9-3-2-4-13-6-9/h2-4,6,8,10,14H,5,7H2,1H3/t8-,10-/m1/s1.
What are the key properties of 5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 230.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,4S)-4-methylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 114085802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).