5-[[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole

C21H24N4O — CID 95315795

IUPAC5-[[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCC[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1nc(-c2cccnc2)no1
InChIInChI=1S/C21H24N4O/c1-2-18(16-8-4-3-5-9-16)19-11-7-13-25(19)15-20-23-21(24-26-20)17-10-6-12-22-14-17/h3-6,8-10,12,14,18-19H,2,7,11,13,15H2,1H3/t18-,19-/m0/s1
InChIKeyRADWUCFYGCKYPE-OALUTQOASA-N
MW348.45 g/mol
LogP4.29
Rot. Bonds6

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

5-[[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 95315795) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-[[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID95315795
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name5-[[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCC[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1nc(-c2cccnc2)no1
InChIInChI=1S/C21H24N4O/c1-2-18(16-8-4-3-5-9-16)19-11-7-13-25(19)15-20-23-21(24-26-20)17-10-6-12-22-14-17/h3-6,8-10,12,14,18-19H,2,7,11,13,15H2,1H3/t18-,19-/m0/s1
InChIKeyRADWUCFYGCKYPE-OALUTQOASA-N
XLogP4.29
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 56825307
5-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95570862
5-[[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
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5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 17400583
1-phenyl-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]ethanol
CID 111490240
5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95352806
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one
CID 95764797
5-[[2-(1-phenylethyl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 56863914
[(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 62046532
(3S,4S)-4-phenyl-1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
CID 171915585
N-benzyl-N-methyl-5-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 95100369
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one
CID 95592205

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 95315795) is 5-[[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole is CC[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1nc(-c2cccnc2)no1.
What is the InChIKey of 5-[[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is RADWUCFYGCKYPE-OALUTQOASA-N. The full InChI is InChI=1S/C21H24N4O/c1-2-18(16-8-4-3-5-9-16)19-11-7-13-25(19)15-20-23-21(24-26-20)17-10-6-12-22-14-17/h3-6,8-10,12,14,18-19H,2,7,11,13,15H2,1H3/t18-,19-/m0/s1.
What are the key properties of 5-[[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 348.45 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 95315795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).