5-[6-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole

C19H19FN4O2 — CID 56701353

IUPAC5-[6-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc(Oc3cccc(CN4CCCC4)c3F)nc2)n1
InChIInChI=1S/C19H19FN4O2/c1-13-22-19(26-23-13)14-7-8-17(21-11-14)25-16-6-4-5-15(18(16)20)12-24-9-2-3-10-24/h4-8,11H,2-3,9-10,12H2,1H3
InChIKeyPTGFZXWCEYMLEK-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.97
Rot. Bonds5

About 5-[6-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole

5-[6-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 56701353) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 5-[6-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[6-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
PubChem CID56701353
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name5-[6-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2ccc(Oc3cccc(CN4CCCC4)c3F)nc2)n1
InChIInChI=1S/C19H19FN4O2/c1-13-22-19(26-23-13)14-7-8-17(21-11-14)25-16-6-4-5-15(18(16)20)12-24-9-2-3-10-24/h4-8,11H,2-3,9-10,12H2,1H3
InChIKeyPTGFZXWCEYMLEK-UHFFFAOYSA-N
XLogP3.97
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[6-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole (CID 56701353) is 5-[6-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[6-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[6-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2ccc(Oc3cccc(CN4CCCC4)c3F)nc2)n1.
What is the InChIKey of 5-[6-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is PTGFZXWCEYMLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-13-22-19(26-23-13)14-7-8-17(21-11-14)25-16-6-4-5-15(18(16)20)12-24-9-2-3-10-24/h4-8,11H,2-3,9-10,12H2,1H3.
What are the key properties of 5-[6-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole?
5-[6-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 354.39 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2-fluoro-3-(pyrrolidin-1-ylmethyl)phenoxy]-3-pyridinyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 56701353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).