[4-[3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine

C19H16N4O2 — CID 167848574

IUPAC[4-[3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
SMILESNCc1cc(-c2nc(COc3cccc4ccccc34)no2)ccn1
InChIInChI=1S/C19H16N4O2/c20-11-15-10-14(8-9-21-15)19-22-18(23-25-19)12-24-17-7-3-5-13-4-1-2-6-16(13)17/h1-10H,11-12,20H2
InChIKeyIGQSFCBNSZROMF-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.32
Rot. Bonds5

About [4-[3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine

[4-[3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine (PubChem CID 167848574) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is [4-[3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
PubChem CID167848574
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name[4-[3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
SMILESNCc1cc(-c2nc(COc3cccc4ccccc34)no2)ccn1
InChIInChI=1S/C19H16N4O2/c20-11-15-10-14(8-9-21-15)19-22-18(23-25-19)12-24-17-7-3-5-13-4-1-2-6-16(13)17/h1-10H,11-12,20H2
InChIKeyIGQSFCBNSZROMF-UHFFFAOYSA-N
XLogP3.32
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine (CID 167848574) is [4-[3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine is NCc1cc(-c2nc(COc3cccc4ccccc34)no2)ccn1.
What is the InChIKey of [4-[3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine?
The InChIKey is IGQSFCBNSZROMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c20-11-15-10-14(8-9-21-15)19-22-18(23-25-19)12-24-17-7-3-5-13-4-1-2-6-16(13)17/h1-10H,11-12,20H2.
What are the key properties of [4-[3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine?
[4-[3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine has a molecular weight of 332.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine is sourced from PubChem (CID 167848574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).