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

C19H19ClN4O2 — CID 45226780

IUPAC3-(3-chlorophenyl)-5-[6-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOCC1CCN(c2ccc(-c3nc(-c4cccc(Cl)c4)no3)cn2)C1
InChIInChI=1S/C19H19ClN4O2/c1-25-12-13-7-8-24(11-13)17-6-5-15(10-21-17)19-22-18(23-26-19)14-3-2-4-16(20)9-14/h2-6,9-10,13H,7-8,11-12H2,1H3
InChIKeyJYXCIKNNWFYYLJ-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.92
Rot. Bonds5

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

3-(3-chlorophenyl)-5-[6-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 45226780) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-[6-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-[6-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID45226780
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name3-(3-chlorophenyl)-5-[6-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOCC1CCN(c2ccc(-c3nc(-c4cccc(Cl)c4)no3)cn2)C1
InChIInChI=1S/C19H19ClN4O2/c1-25-12-13-7-8-24(11-13)17-6-5-15(10-21-17)19-22-18(23-26-19)14-3-2-4-16(20)9-14/h2-6,9-10,13H,7-8,11-12H2,1H3
InChIKeyJYXCIKNNWFYYLJ-UHFFFAOYSA-N
XLogP3.92
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(3-chlorophenyl)-5-[6-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 51902975
5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole
CID 95896088
1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56769882
3-benzyl-5-[6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 45207093
(2S)-1-[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxamide
CID 45221148
1-[5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56769900
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113
[3-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 129215030
5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 53037210
3-(4-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 53037167
6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129371025
[4-[5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120892380

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-[6-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chlorophenyl)-5-[6-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole (CID 45226780) is 3-(3-chlorophenyl)-5-[6-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-[6-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-[6-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole is COCC1CCN(c2ccc(-c3nc(-c4cccc(Cl)c4)no3)cn2)C1.
What is the InChIKey of 3-(3-chlorophenyl)-5-[6-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is JYXCIKNNWFYYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-25-12-13-7-8-24(11-13)17-6-5-15(10-21-17)19-22-18(23-26-19)14-3-2-4-16(20)9-14/h2-6,9-10,13H,7-8,11-12H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-5-[6-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole?
3-(3-chlorophenyl)-5-[6-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 370.84 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-[6-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 45226780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).