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

C21H24N4O2 — CID 133333521

IUPAC5-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1cccc(C2CCCN2c2cc(-c3nc(C(C)C)no3)ccn2)c1
InChIInChI=1S/C21H24N4O2/c1-14(2)20-23-21(27-24-20)16-9-10-22-19(13-16)25-11-5-8-18(25)15-6-4-7-17(12-15)26-3/h4,6-7,9-10,12-14,18H,5,8,11H2,1-3H3
InChIKeyIORZQEWRYOXTAJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.61
Rot. Bonds5

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

5-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 133333521) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID133333521
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name5-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1cccc(C2CCCN2c2cc(-c3nc(C(C)C)no3)ccn2)c1
InChIInChI=1S/C21H24N4O2/c1-14(2)20-23-21(27-24-20)16-9-10-22-19(13-16)25-11-5-8-18(25)15-6-4-7-17(12-15)26-3/h4,6-7,9-10,12-14,18H,5,8,11H2,1-3H3
InChIKeyIORZQEWRYOXTAJ-UHFFFAOYSA-N
XLogP4.61
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 51075931
(2S)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122059747
5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 133369937
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]quinoline
CID 133331422
methyl 4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carboxylate
CID 97064012
5-[2-(4-ethenylpiperidin-1-yl)-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133321766
methyl 4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 133319821
3-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 55536440
1-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61326230
N-(1-cyclobutylethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133417791
3-propan-2-yl-5-[2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-1,2,4-oxadiazole
CID 133448829
(2R)-2-(3-methoxyphenoxy)-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 28980455

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 133333521) is 5-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole is COc1cccc(C2CCCN2c2cc(-c3nc(C(C)C)no3)ccn2)c1.
What is the InChIKey of 5-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is IORZQEWRYOXTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14(2)20-23-21(27-24-20)16-9-10-22-19(13-16)25-11-5-8-18(25)15-6-4-7-17(12-15)26-3/h4,6-7,9-10,12-14,18H,5,8,11H2,1-3H3.
What are the key properties of 5-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 364.45 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 133333521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).