5-[(3-bromophenyl)-pyrrolidin-1-ylmethyl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole

C19H19BrN4O2 — CID 119036250

IUPAC5-[(3-bromophenyl)-pyrrolidin-1-ylmethyl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C(c3cccc(Br)c3)N3CCCC3)n2)cn1
InChIInChI=1S/C19H19BrN4O2/c1-25-16-8-7-14(12-21-16)18-22-19(26-23-18)17(24-9-2-3-10-24)13-5-4-6-15(20)11-13/h4-8,11-12,17H,2-3,9-10H2,1H3
InChIKeyGJVXSZMZNAKCPX-UHFFFAOYSA-N
MW415.29 g/mol
LogP4.09
Rot. Bonds5

About 5-[(3-bromophenyl)-pyrrolidin-1-ylmethyl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole

5-[(3-bromophenyl)-pyrrolidin-1-ylmethyl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 119036250) has the molecular formula C19H19BrN4O2 and a molecular weight of 415.29 g/mol. Its IUPAC name is 5-[(3-bromophenyl)-pyrrolidin-1-ylmethyl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3-bromophenyl)-pyrrolidin-1-ylmethyl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID119036250
Molecular FormulaC19H19BrN4O2
Molecular Weight415.29 g/mol
Exact Mass414.07
IUPAC Name5-[(3-bromophenyl)-pyrrolidin-1-ylmethyl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C(c3cccc(Br)c3)N3CCCC3)n2)cn1
InChIInChI=1S/C19H19BrN4O2/c1-25-16-8-7-14(12-21-16)18-22-19(26-23-18)17(24-9-2-3-10-24)13-5-4-6-15(20)11-13/h4-8,11-12,17H,2-3,9-10H2,1H3
InChIKeyGJVXSZMZNAKCPX-UHFFFAOYSA-N
XLogP4.09
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(4-Methoxybenzyl)-2-piperidyl]-3-(3-pyridyl)-1,2,4-oxadiazole
CID 53191909
N-(2-methoxyethyl)-3-[5-[(2S)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 45783384
3-(5-fluoro-2-pyridinyl)-5-[(2S)-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 51136931
US11352339, Example 162
CID 141720547
2-Methoxy-3-{[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]carbonyl}pyridine
CID 70786167
1-[1-[3-(6-Methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbutyl]piperidin-2-one
CID 71972196
N-[(2-ethoxyphenyl)methyl]-N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 72015133
N-[2-(2-methoxyphenyl)ethyl]-N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 72015584
2-{2-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-YL]pyrrolidine-1-carbonyl}pyridine
CID 91916586
(3S,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-N-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 45783261
4-[4-[5-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 45783283
3-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 45783406

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenyl)-pyrrolidin-1-ylmethyl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3-bromophenyl)-pyrrolidin-1-ylmethyl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole (CID 119036250) is 5-[(3-bromophenyl)-pyrrolidin-1-ylmethyl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3-bromophenyl)-pyrrolidin-1-ylmethyl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3-bromophenyl)-pyrrolidin-1-ylmethyl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(C(c3cccc(Br)c3)N3CCCC3)n2)cn1.
What is the InChIKey of 5-[(3-bromophenyl)-pyrrolidin-1-ylmethyl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is GJVXSZMZNAKCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O2/c1-25-16-8-7-14(12-21-16)18-22-19(26-23-18)17(24-9-2-3-10-24)13-5-4-6-15(20)11-13/h4-8,11-12,17H,2-3,9-10H2,1H3.
What are the key properties of 5-[(3-bromophenyl)-pyrrolidin-1-ylmethyl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole?
5-[(3-bromophenyl)-pyrrolidin-1-ylmethyl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 415.29 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenyl)-pyrrolidin-1-ylmethyl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 119036250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).