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

C19H20N4O2 — CID 99695591

IUPAC3-(3-methoxyphenyl)-5-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(N3CCC[C@@H]3c3cccc(C)n3)n2)c1
InChIInChI=1S/C19H20N4O2/c1-13-6-3-9-16(20-13)17-10-5-11-23(17)19-21-18(22-25-19)14-7-4-8-15(12-14)24-2/h3-4,6-9,12,17H,5,10-11H2,1-2H3/t17-/m1/s1
InChIKeyXGADNNABKOTZGC-QGZVFWFLSA-N
MW336.40 g/mol
LogP3.79
Rot. Bonds4

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

3-(3-methoxyphenyl)-5-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-1,2,4-oxadiazole (PubChem CID 99695591) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-1,2,4-oxadiazole
PubChem CID99695591
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-(3-methoxyphenyl)-5-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(N3CCC[C@@H]3c3cccc(C)n3)n2)c1
InChIInChI=1S/C19H20N4O2/c1-13-6-3-9-16(20-13)17-10-5-11-23(17)19-21-18(22-25-19)14-7-4-8-15(12-14)24-2/h3-4,6-9,12,17H,5,10-11H2,1-2H3/t17-/m1/s1
InChIKeyXGADNNABKOTZGC-QGZVFWFLSA-N
XLogP3.79
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 75422616
1-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 5041524
methyl (3S)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxylate
CID 133326662
1-[(2S)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 7356627
4-[[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methyl]morpholine
CID 133322362
N-cyclopentyl-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039423
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
2-(4-chlorophenoxy)-1-[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 7360540
(2S)-N-cyclohexyl-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7364645
N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342228
[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 53039270
(2S)-N-(3,5-dimethylphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057773

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methoxyphenyl)-5-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-1,2,4-oxadiazole (CID 99695591) is 3-(3-methoxyphenyl)-5-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methoxyphenyl)-5-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-1,2,4-oxadiazole is COc1cccc(-c2noc(N3CCC[C@@H]3c3cccc(C)n3)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is XGADNNABKOTZGC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-6-3-9-16(20-13)17-10-5-11-23(17)19-21-18(22-25-19)14-7-4-8-15(12-14)24-2/h3-4,6-9,12,17H,5,10-11H2,1-2H3/t17-/m1/s1.
What are the key properties of 3-(3-methoxyphenyl)-5-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-1,2,4-oxadiazole?
3-(3-methoxyphenyl)-5-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 336.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 99695591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).