5-[6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

C20H22N4O2 — CID 51902975

IUPAC5-[6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCOC[C@H]1CCN(c2ccc(-c3nc(-c4ccccc4C)no3)cn2)C1
InChIInChI=1S/C20H22N4O2/c1-14-5-3-4-6-17(14)19-22-20(26-23-19)16-7-8-18(21-11-16)24-10-9-15(12-24)13-25-2/h3-8,11,15H,9-10,12-13H2,1-2H3/t15-/m0/s1
InChIKeyLLEIQWIIWLKBPU-HNNXBMFYSA-N
MW350.42 g/mol
LogP3.58
Rot. Bonds5

About 5-[6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

5-[6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 51902975) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-[6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID51902975
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-[6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCOC[C@H]1CCN(c2ccc(-c3nc(-c4ccccc4C)no3)cn2)C1
InChIInChI=1S/C20H22N4O2/c1-14-5-3-4-6-17(14)19-22-20(26-23-19)16-7-8-18(21-11-16)24-10-9-15(12-24)13-25-2/h3-8,11,15H,9-10,12-13H2,1-2H3/t15-/m0/s1
InChIKeyLLEIQWIIWLKBPU-HNNXBMFYSA-N
XLogP3.58
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (CID 51902975) is 5-[6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is COC[C@H]1CCN(c2ccc(-c3nc(-c4ccccc4C)no3)cn2)C1.
What is the InChIKey of 5-[6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is LLEIQWIIWLKBPU-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-5-3-4-6-17(14)19-22-20(26-23-19)16-7-8-18(21-11-16)24-10-9-15(12-24)13-25-2/h3-8,11,15H,9-10,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 5-[6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
5-[6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 350.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 51902975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).