3-(3-methyl-2-pyridinyl)-5-naphthalen-1-yl-1,2,4-oxadiazole

C18H13N3O — CID 15956972

IUPAC3-(3-methyl-2-pyridinyl)-5-naphthalen-1-yl-1,2,4-oxadiazole
SMILESCc1cccnc1-c1noc(-c2cccc3ccccc23)n1
InChIInChI=1S/C18H13N3O/c1-12-6-5-11-19-16(12)17-20-18(22-21-17)15-10-4-8-13-7-2-3-9-14(13)15/h2-11H,1H3
InChIKeyOBURXNQWYLNCOM-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.26
Rot. Bonds2

About 3-(3-methyl-2-pyridinyl)-5-naphthalen-1-yl-1,2,4-oxadiazole

3-(3-methyl-2-pyridinyl)-5-naphthalen-1-yl-1,2,4-oxadiazole (PubChem CID 15956972) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(3-methyl-2-pyridinyl)-5-naphthalen-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methyl-2-pyridinyl)-5-naphthalen-1-yl-1,2,4-oxadiazole
PubChem CID15956972
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name3-(3-methyl-2-pyridinyl)-5-naphthalen-1-yl-1,2,4-oxadiazole
SMILESCc1cccnc1-c1noc(-c2cccc3ccccc23)n1
InChIInChI=1S/C18H13N3O/c1-12-6-5-11-19-16(12)17-20-18(22-21-17)15-10-4-8-13-7-2-3-9-14(13)15/h2-11H,1H3
InChIKeyOBURXNQWYLNCOM-UHFFFAOYSA-N
XLogP4.26
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-pyridinyl)-5-naphthalen-1-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methyl-2-pyridinyl)-5-naphthalen-1-yl-1,2,4-oxadiazole (CID 15956972) is 3-(3-methyl-2-pyridinyl)-5-naphthalen-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methyl-2-pyridinyl)-5-naphthalen-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methyl-2-pyridinyl)-5-naphthalen-1-yl-1,2,4-oxadiazole is Cc1cccnc1-c1noc(-c2cccc3ccccc23)n1.
What is the InChIKey of 3-(3-methyl-2-pyridinyl)-5-naphthalen-1-yl-1,2,4-oxadiazole?
The InChIKey is OBURXNQWYLNCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c1-12-6-5-11-19-16(12)17-20-18(22-21-17)15-10-4-8-13-7-2-3-9-14(13)15/h2-11H,1H3.
What are the key properties of 3-(3-methyl-2-pyridinyl)-5-naphthalen-1-yl-1,2,4-oxadiazole?
3-(3-methyl-2-pyridinyl)-5-naphthalen-1-yl-1,2,4-oxadiazole has a molecular weight of 287.32 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-pyridinyl)-5-naphthalen-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 15956972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).