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

C20H22N4O2 — CID 92558930

IUPAC2-[(2S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
SMILESCOc1cccc(CN2CCC[C@H]2c2nnc(-c3ccc(C)nc3)o2)c1
InChIInChI=1S/C20H22N4O2/c1-14-8-9-16(12-21-14)19-22-23-20(26-19)18-7-4-10-24(18)13-15-5-3-6-17(11-15)25-2/h3,5-6,8-9,11-12,18H,4,7,10,13H2,1-2H3/t18-/m0/s1
InChIKeyMWJOTQCAHAITGY-SFHVURJKSA-N
MW350.42 g/mol
LogP3.79
Rot. Bonds5

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

2-[(2S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole (PubChem CID 92558930) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[(2S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
PubChem CID92558930
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[(2S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
SMILESCOc1cccc(CN2CCC[C@H]2c2nnc(-c3ccc(C)nc3)o2)c1
InChIInChI=1S/C20H22N4O2/c1-14-8-9-16(12-21-14)19-22-23-20(26-19)18-7-4-10-24(18)13-15-5-3-6-17(11-15)25-2/h3,5-6,8-9,11-12,18H,4,7,10,13H2,1-2H3/t18-/m0/s1
InChIKeyMWJOTQCAHAITGY-SFHVURJKSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(2S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 92558932
2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 110243034
4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 122138322
cyclopropyl-[2-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 127244442
2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
CID 134001112
2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 110082680
4-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
CID 95611782
1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 110096187
4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95844879
(2S)-2-(4-chloro-1-methylpyrazol-5-yl)-1-[(3-methoxyphenyl)methyl]azepane
CID 92565979
2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 63386922
1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
CID 20895836

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole (CID 92558930) is 2-[(2S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole is COc1cccc(CN2CCC[C@H]2c2nnc(-c3ccc(C)nc3)o2)c1.
What is the InChIKey of 2-[(2S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is MWJOTQCAHAITGY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-8-9-16(12-21-14)19-22-23-20(26-19)18-7-4-10-24(18)13-15-5-3-6-17(11-15)25-2/h3,5-6,8-9,11-12,18H,4,7,10,13H2,1-2H3/t18-/m0/s1.
What are the key properties of 2-[(2S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole?
2-[(2S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 350.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 92558930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).